tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate

C18H27N3O5 — CID 108916244

IUPACtert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccccc1CC(=O)NCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O5/c1-18(2,3)26-17(24)21-12-16(23)20-10-9-19-15(22)11-13-7-5-6-8-14(13)25-4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyOGCHTRBODTWGRS-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.99
Rot. Bonds8

About tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate (PubChem CID 108916244) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
PubChem CID108916244
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nametert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
SMILESCOc1ccccc1CC(=O)NCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O5/c1-18(2,3)26-17(24)21-12-16(23)20-10-9-19-15(22)11-13-7-5-6-8-14(13)25-4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyOGCHTRBODTWGRS-UHFFFAOYSA-N
XLogP0.99
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
tert-butyl N-[2-[3-[[2-(2-methoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918782
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
tert-butyl N-[3-[3-[[2-(2-methoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920115
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate (CID 108916244) is tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate is COc1ccccc1CC(=O)NCCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate?
The InChIKey is OGCHTRBODTWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-18(2,3)26-17(24)21-12-16(23)20-10-9-19-15(22)11-13-7-5-6-8-14(13)25-4/h5-8H,9-12H2,1-4H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate has a molecular weight of 365.43 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).