methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate

C14H21N3O4 — CID 81071019

IUPACmethyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
SMILESCOCCCC(N)C(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C14H21N3O4/c1-20-9-3-4-12(15)13(18)16-10-5-7-11(8-6-10)17-14(19)21-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZXYQRNIVJMFEEY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.56
Rot. Bonds7

About methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate

methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate (PubChem CID 81071019) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
PubChem CID81071019
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
SMILESCOCCCC(N)C(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C14H21N3O4/c1-20-9-3-4-12(15)13(18)16-10-5-7-11(8-6-10)17-14(19)21-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZXYQRNIVJMFEEY-UHFFFAOYSA-N
XLogP1.56
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.56
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

methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 81082977
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
CID 81086085
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate (CID 81071019) is methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate is COCCCC(N)C(=O)Nc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate?
The InChIKey is ZXYQRNIVJMFEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-9-3-4-12(15)13(18)16-10-5-7-11(8-6-10)17-14(19)21-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate?
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate is sourced from PubChem (CID 81071019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).