ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate

C14H21N3O4 — CID 103154656

IUPACethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C14H21N3O4/c1-3-21-14(19)17-11-6-4-10(5-7-11)16-13(18)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLRZFZIQCSWOIBO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.56
Rot. Bonds7

About ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate

ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate (PubChem CID 103154656) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
PubChem CID103154656
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C14H21N3O4/c1-3-21-14(19)17-11-6-4-10(5-7-11)16-13(18)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLRZFZIQCSWOIBO-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

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Related Compounds

4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
CID 120591731
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 120587411
4-amino-3-methoxy-N-[4-(triazol-2-yl)phenyl]butanamide;hydrochloride
CID 120589330

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate (CID 103154656) is ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)CC(CN)OC)cc1.
What is the InChIKey of ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate?
The InChIKey is LRZFZIQCSWOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-21-14(19)17-11-6-4-10(5-7-11)16-13(18)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate?
ethyl N-[4-[(4-amino-3-methoxybutanoyl)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 ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate is sourced from PubChem (CID 103154656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).