tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate

C25H34N2O3 — CID 130376749

IUPACtert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-25(2,3)30-24(29)26-19-18-23(28)27-22(16-14-20-10-6-4-7-11-20)17-15-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyCPOAVLSMSJCWRP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.65
Rot. Bonds10

About tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate

tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate (PubChem CID 130376749) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
PubChem CID130376749
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Nametert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-25(2,3)30-24(29)26-19-18-23(28)27-22(16-14-20-10-6-4-7-11-20)17-15-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyCPOAVLSMSJCWRP-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3S)-1-(1,5-diphenylpentan-3-ylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-3-yl]carbamate
CID 130376694
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
benzyl N-[1-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 123366231
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl N-[2-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
tert-butyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 155797460
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
5-O-benzyl 1-O-methyl (2R)-2-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]pentanedioate
CID 10578952
benzyl (3S)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]butanoate
CID 10371852
methyl (2R)-2-[3-[[(2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoyl]amino]propanoylamino]-3-sulfanylpropanoate
CID 57342101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate (CID 130376749) is tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate?
The InChIKey is CPOAVLSMSJCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-25(2,3)30-24(29)26-19-18-23(28)27-22(16-14-20-10-6-4-7-11-20)17-15-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate has a molecular weight of 410.56 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 130376749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).