3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide

C16H20N4O — CID 60866364

IUPAC3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C16H20N4O/c21-16(6-7-18-14-4-5-14)19-15-3-1-2-13(10-15)11-20-9-8-17-12-20/h1-3,8-10,12,14,18H,4-7,11H2,(H,19,21)
InChIKeyHLKGEDXTZPKZEX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds7

About 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide

3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide (PubChem CID 60866364) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
PubChem CID60866364
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C16H20N4O/c21-16(6-7-18-14-4-5-14)19-15-3-1-2-13(10-15)11-20-9-8-17-12-20/h1-3,8-10,12,14,18H,4-7,11H2,(H,19,21)
InChIKeyHLKGEDXTZPKZEX-UHFFFAOYSA-N
XLogP2.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208915
2-(2,4-dichlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 32557297
N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982569
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide (CID 60866364) is 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide is O=C(CCNC1CC1)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is HLKGEDXTZPKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(6-7-18-14-4-5-14)19-15-3-1-2-13(10-15)11-20-9-8-17-12-20/h1-3,8-10,12,14,18H,4-7,11H2,(H,19,21).
What are the key properties of 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60866364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).