(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide

C17H23N5O2 — CID 96524441

IUPAC(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
SMILESCc1nccn1CCCNC(=O)N[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H23N5O2/c1-13(16(23)21-15-7-4-3-5-8-15)20-17(24)19-9-6-11-22-12-10-18-14(22)2/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1
InChIKeyFPDYLHRIJGSVIQ-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds7

About (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide

(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide (PubChem CID 96524441) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
PubChem CID96524441
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
SMILESCc1nccn1CCCNC(=O)N[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H23N5O2/c1-13(16(23)21-15-7-4-3-5-8-15)20-17(24)19-9-6-11-22-12-10-18-14(22)2/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1
InChIKeyFPDYLHRIJGSVIQ-CYBMUJFWSA-N
XLogP1.91
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 75420265
1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 55835183
2-[2-[4-(2-methylimidazol-1-yl)butyl]phenyl]propanoic acid
CID 22987134
5-[3-(2-methylimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953270
1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111481818
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide (CID 96524441) is (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide is Cc1nccn1CCCNC(=O)N[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide?
The InChIKey is FPDYLHRIJGSVIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(16(23)21-15-7-4-3-5-8-15)20-17(24)19-9-6-11-22-12-10-18-14(22)2/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide?
(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide is sourced from PubChem (CID 96524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).