N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide

C14H21N3O2 — CID 119289487

IUPACN-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCN)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-14(19)17-12-6-4-11(5-7-12)10-16-13(18)8-9-15/h4-7H,2-3,8-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyYCPWIGOASFRVNE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds7

About N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide

N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide (PubChem CID 119289487) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
PubChem CID119289487
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCN)cc1
InChIInChI=1S/C14H21N3O2/c1-2-3-14(19)17-12-6-4-11(5-7-12)10-16-13(18)8-9-15/h4-7H,2-3,8-10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyYCPWIGOASFRVNE-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 110953088
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[[4-(carbamoylamino)phenyl]methyl]hexanamide
CID 52559075
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide?
The IUPAC name of N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide (CID 119289487) is N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CNC(=O)CCN)cc1.
What is the InChIKey of N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide?
The InChIKey is YCPWIGOASFRVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-3-14(19)17-12-6-4-11(5-7-12)10-16-13(18)8-9-15/h4-7H,2-3,8-10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide?
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide is sourced from PubChem (CID 119289487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).