2-(1-phenylbutylamino)propanamide

C13H20N2O — CID 43401102

IUPAC2-(1-phenylbutylamino)propanamide
SMILESCCCC(NC(C)C(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-7-12(15-10(2)13(14)16)11-8-5-4-6-9-11/h4-6,8-10,12,15H,3,7H2,1-2H3,(H2,14,16)
InChIKeyBPPASFNPAPPZSQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds6

About 2-(1-phenylbutylamino)propanamide

2-(1-phenylbutylamino)propanamide (PubChem CID 43401102) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(1-phenylbutylamino)propanamide.

Molecular Properties

Compound Name2-(1-phenylbutylamino)propanamide
PubChem CID43401102
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(1-phenylbutylamino)propanamide
SMILESCCCC(NC(C)C(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-7-12(15-10(2)13(14)16)11-8-5-4-6-9-11/h4-6,8-10,12,15H,3,7H2,1-2H3,(H2,14,16)
InChIKeyBPPASFNPAPPZSQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
2-(1,3-diphenylpropylamino)propanamide
CID 70078545
1-phenylbutylurea
CID 2852079
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
4-(1-phenylbutylamino)pentanal
CID 174525536

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutylamino)propanamide?
The IUPAC name of 2-(1-phenylbutylamino)propanamide (CID 43401102) is 2-(1-phenylbutylamino)propanamide.
What is the SMILES notation for 2-(1-phenylbutylamino)propanamide?
The canonical SMILES for 2-(1-phenylbutylamino)propanamide is CCCC(NC(C)C(N)=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylbutylamino)propanamide?
The InChIKey is BPPASFNPAPPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-12(15-10(2)13(14)16)11-8-5-4-6-9-11/h4-6,8-10,12,15H,3,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-(1-phenylbutylamino)propanamide?
2-(1-phenylbutylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutylamino)propanamide is sourced from PubChem (CID 43401102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).