tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate

C32H40N4O5 — CID 18062716

IUPACtert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccccc1C
InChIInChI=1S/C32H40N4O5/c1-6-19-36(30(39)26(17-18-27(33)37)35-31(40)41-32(3,4)5)28(25-14-10-7-11-21(25)2)29(38)34-24-16-15-22-12-8-9-13-23(22)20-24/h7-16,20,26,28H,6,17-19H2,1-5H3,(H2,33,37)(H,34,38)(H,35,40)
InChIKeyYREUFZBFXGIFIC-UHFFFAOYSA-N
MW560.70 g/mol
LogP5.23
Rot. Bonds11

About tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18062716) has the molecular formula C32H40N4O5 and a molecular weight of 560.70 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
PubChem CID18062716
Molecular FormulaC32H40N4O5
Molecular Weight560.70 g/mol
Exact Mass560.30
IUPAC Nametert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccccc1C
InChIInChI=1S/C32H40N4O5/c1-6-19-36(30(39)26(17-18-27(33)37)35-31(40)41-32(3,4)5)28(25-14-10-7-11-21(25)2)29(38)34-24-16-15-22-12-8-9-13-23(22)20-24/h7-16,20,26,28H,6,17-19H2,1-5H3,(H2,33,37)(H,34,38)(H,35,40)
InChIKeyYREUFZBFXGIFIC-UHFFFAOYSA-N
XLogP5.23
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-amino-1-[[1-(2,4-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18062881
tert-butyl N-[5-amino-1-[hexyl-[1-(2-hydroxy-3-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18065431
tert-butyl N-[4-methyl-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1-oxopentan-2-yl]carbamate
CID 18045616
tert-butyl N-[5-amino-1-[[1-(2,4-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-heptylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18066016
tert-butyl N-[5-amino-1-[[1-(2,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-hexylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18065506
tert-butyl N-[5-amino-1-[[1-(2,6-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-pentylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18064921
tert-butyl N-[5-amino-1-[cyclopropyl-[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062146
tert-butyl N-[4-amino-1-[[1-(2,6-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,4-dioxobutan-2-yl]carbamate
CID 18051526
tert-butyl N-[3-hydroxy-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-pentylamino]-1-oxopropan-2-yl]carbamate
CID 18036211
tert-butyl N-[5-amino-1-[[1-(3,5-dimethylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-hexylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18065416
tert-butyl N-[5-amino-1-[2-hydroxyethyl-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062401
methyl 2-[[2-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]-propylamino]-2-(2-methylphenyl)acetyl]amino]acetate
CID 18062722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate (CID 18062716) is tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate is CCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccc2ccccc2c1)c1ccccc1C.
What is the InChIKey of tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The InChIKey is YREUFZBFXGIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5/c1-6-19-36(30(39)26(17-18-27(33)37)35-31(40)41-32(3,4)5)28(25-14-10-7-11-21(25)2)29(38)34-24-16-15-22-12-8-9-13-23(22)20-24/h7-16,20,26,28H,6,17-19H2,1-5H3,(H2,33,37)(H,34,38)(H,35,40).
What are the key properties of tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 560.70 g/mol, XLogP of 5.23, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-1-[[1-(2-methylphenyl)-2-(naphthalen-2-ylamino)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18062716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).