N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide

C14H20N4O3 — CID 60980162

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-8(17-14(21)12(15)7-13(16)20)10-4-3-5-11(6-10)18-9(2)19/h3-6,8,12H,7,15H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyMTZIKUXVDNOSKC-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.02
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide

N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide (PubChem CID 60980162) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
PubChem CID60980162
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-8(17-14(21)12(15)7-13(16)20)10-4-3-5-11(6-10)18-9(2)19/h3-6,8,12H,7,15H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyMTZIKUXVDNOSKC-UHFFFAOYSA-N
XLogP0.02
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide (CID 60980162) is N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide is CC(=O)Nc1cccc(C(C)NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide?
The InChIKey is MTZIKUXVDNOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8(17-14(21)12(15)7-13(16)20)10-4-3-5-11(6-10)18-9(2)19/h3-6,8,12H,7,15H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide?
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide has a molecular weight of 292.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide is sourced from PubChem (CID 60980162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).