N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride

C13H20ClN3O2 — CID 119277262

IUPACN-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(17)16-12-6-4-11(5-7-12)9-15-13(18)3-2-8-14;/h4-7H,2-3,8-9,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyXKESPCHTYBMNID-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.42
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride

N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride (PubChem CID 119277262) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
PubChem CID119277262
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(17)16-12-6-4-11(5-7-12)9-15-13(18)3-2-8-14;/h4-7H,2-3,8-9,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyXKESPCHTYBMNID-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-[[4-(carbamoylamino)phenyl]methyl]hexanamide
CID 52559075
ethyl 4-[(4-aminobutanoylamino)methyl]benzoate
CID 119302074
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
N-[4-[(7-aminoheptanoylamino)methyl]phenyl]-4-fluorobenzamide
CID 119762425

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride (CID 119277262) is N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride is CC(=O)Nc1ccc(CNC(=O)CCCN)cc1.Cl.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride?
The InChIKey is XKESPCHTYBMNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-10(17)16-12-6-4-11(5-7-12)9-15-13(18)3-2-8-14;/h4-7H,2-3,8-9,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride?
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride is sourced from PubChem (CID 119277262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).