2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide

C15H20N4O — CID 156533932

IUPAC2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
SMILESNC(Cc1cnc[nH]1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H20N4O/c16-14(9-13-10-17-11-19-13)15(20)18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,14H,4,7-9,16H2,(H,17,19)(H,18,20)
InChIKeyISJIZBWOPDVSAY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.03
Rot. Bonds7

About 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide

2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 156533932) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
PubChem CID156533932
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
SMILESNC(Cc1cnc[nH]1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H20N4O/c16-14(9-13-10-17-11-19-13)15(20)18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,14H,4,7-9,16H2,(H,17,19)(H,18,20)
InChIKeyISJIZBWOPDVSAY-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 146440123
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide (CID 156533932) is 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide is NC(Cc1cnc[nH]1)C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is ISJIZBWOPDVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14(9-13-10-17-11-19-13)15(20)18-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,14H,4,7-9,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide?
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 156533932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).