3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide

C17H23N5O2 — CID 86850589

IUPAC3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H23N5O2/c1-2-8-19-16(23)7-9-20-17(24)21-12-14-3-5-15(6-4-14)22-11-10-18-13-22/h3-6,10-11,13H,2,7-9,12H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyPEHCOHIIXVVCBC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.59
Rot. Bonds8

About 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide

3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide (PubChem CID 86850589) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
PubChem CID86850589
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H23N5O2/c1-2-8-19-16(23)7-9-20-17(24)21-12-14-3-5-15(6-4-14)22-11-10-18-13-22/h3-6,10-11,13H,2,7-9,12H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyPEHCOHIIXVVCBC-UHFFFAOYSA-N
XLogP1.59
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
CID 166212139
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084

Frequently Asked Questions

What is the IUPAC name of 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide (CID 86850589) is 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide?
The InChIKey is PEHCOHIIXVVCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-8-19-16(23)7-9-20-17(24)21-12-14-3-5-15(6-4-14)22-11-10-18-13-22/h3-6,10-11,13H,2,7-9,12H2,1H3,(H,19,23)(H2,20,21,24).
What are the key properties of 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide?
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 86850589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).