N-butan-2-yl-3-(2-phenylpropylamino)propanamide

C16H26N2O — CID 54893679

IUPACN-butan-2-yl-3-(2-phenylpropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(3)18-16(19)10-11-17-12-13(2)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3,(H,18,19)
InChIKeyJPPCKGXJTZWMBI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.68
Rot. Bonds8

About N-butan-2-yl-3-(2-phenylpropylamino)propanamide

N-butan-2-yl-3-(2-phenylpropylamino)propanamide (PubChem CID 54893679) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-phenylpropylamino)propanamide
PubChem CID54893679
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-butan-2-yl-3-(2-phenylpropylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(3)18-16(19)10-11-17-12-13(2)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3,(H,18,19)
InChIKeyJPPCKGXJTZWMBI-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
N-butan-2-yl-3-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111356850
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
N-butan-2-yl-3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propanamide
CID 79221235
3-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103896928
N'-hydroxy-3-(2-phenylpropylamino)propanimidamide
CID 104591633
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-phenylpropylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-phenylpropylamino)propanamide (CID 54893679) is N-butan-2-yl-3-(2-phenylpropylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-phenylpropylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-phenylpropylamino)propanamide is CCC(C)NC(=O)CCNCC(C)c1ccccc1.
What is the InChIKey of N-butan-2-yl-3-(2-phenylpropylamino)propanamide?
The InChIKey is JPPCKGXJTZWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(3)18-16(19)10-11-17-12-13(2)15-8-6-5-7-9-15/h5-9,13-14,17H,4,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-(2-phenylpropylamino)propanamide?
N-butan-2-yl-3-(2-phenylpropylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-phenylpropylamino)propanamide is sourced from PubChem (CID 54893679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).