2-(3-phenylbutylamino)butanamide

C14H22N2O — CID 55153879

IUPAC2-(3-phenylbutylamino)butanamide
SMILESCCC(NCCC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2O/c1-3-13(14(15)17)16-10-9-11(2)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H2,15,17)
InChIKeyHSDKEIAHTZWIMZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds7

About 2-(3-phenylbutylamino)butanamide

2-(3-phenylbutylamino)butanamide (PubChem CID 55153879) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-phenylbutylamino)butanamide.

Molecular Properties

Compound Name2-(3-phenylbutylamino)butanamide
PubChem CID55153879
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-phenylbutylamino)butanamide
SMILESCCC(NCCC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2O/c1-3-13(14(15)17)16-10-9-11(2)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H2,15,17)
InChIKeyHSDKEIAHTZWIMZ-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-(1-phenylethylamino)butanamide
CID 62899453
(2S)-2-(benzylamino)butanamide
CID 131998527
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
4-[1-(3-phenylbutylamino)propyl]phenol
CID 62988194
2-(2-aminoethylamino)butanamide
CID 62900229
N-(3-phenylbutyl)benzamide
CID 62403316
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
2-(butylamino)-2-phenylacetamide
CID 14569005
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbutylamino)butanamide?
The IUPAC name of 2-(3-phenylbutylamino)butanamide (CID 55153879) is 2-(3-phenylbutylamino)butanamide.
What is the SMILES notation for 2-(3-phenylbutylamino)butanamide?
The canonical SMILES for 2-(3-phenylbutylamino)butanamide is CCC(NCCC(C)c1ccccc1)C(N)=O.
What is the InChIKey of 2-(3-phenylbutylamino)butanamide?
The InChIKey is HSDKEIAHTZWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(14(15)17)16-10-9-11(2)12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-(3-phenylbutylamino)butanamide?
2-(3-phenylbutylamino)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbutylamino)butanamide is sourced from PubChem (CID 55153879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).