4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide

C15H20N4O — CID 63323955

IUPAC4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
SMILESNC(CCC(=O)NCCn1ccnc1)c1ccccc1
InChIInChI=1S/C15H20N4O/c16-14(13-4-2-1-3-5-13)6-7-15(20)18-9-11-19-10-8-17-12-19/h1-5,8,10,12,14H,6-7,9,11,16H2,(H,18,20)
InChIKeyFYPPGCPZVYZSEY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds7

About 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide

4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide (PubChem CID 63323955) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
PubChem CID63323955
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
SMILESNC(CCC(=O)NCCn1ccnc1)c1ccccc1
InChIInChI=1S/C15H20N4O/c16-14(13-4-2-1-3-5-13)6-7-15(20)18-9-11-19-10-8-17-12-19/h1-5,8,10,12,14H,6-7,9,11,16H2,(H,18,20)
InChIKeyFYPPGCPZVYZSEY-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
N-(3-amino-3-phenylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 80506321
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(1S)-1-phenylethyl]urea
CID 95159896
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide (CID 63323955) is 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide is NC(CCC(=O)NCCn1ccnc1)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide?
The InChIKey is FYPPGCPZVYZSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14(13-4-2-1-3-5-13)6-7-15(20)18-9-11-19-10-8-17-12-19/h1-5,8,10,12,14H,6-7,9,11,16H2,(H,18,20).
What are the key properties of 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide?
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide is sourced from PubChem (CID 63323955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).