N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide

C14H21N3O3 — CID 120989107

IUPACN-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-10(18)17-12-5-3-11(4-6-12)7-8-16-14(19)13(15)9-20-2/h3-6,13H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDIKQGYPBPWVKLQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds7

About N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide

N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide (PubChem CID 120989107) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
PubChem CID120989107
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-10(18)17-12-5-3-11(4-6-12)7-8-16-14(19)13(15)9-20-2/h3-6,13H,7-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDIKQGYPBPWVKLQ-UHFFFAOYSA-N
XLogP0.28
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide (CID 120989107) is N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide is COCC(N)C(=O)NCCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide?
The InChIKey is DIKQGYPBPWVKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(18)17-12-5-3-11(4-6-12)7-8-16-14(19)13(15)9-20-2/h3-6,13H,7-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide?
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide has a molecular weight of 279.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide is sourced from PubChem (CID 120989107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).