3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide

C15H18N4O — CID 60866705

IUPAC3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H18N4O/c20-15(6-7-17-12-4-5-12)18-13-2-1-3-14(10-13)19-9-8-16-11-19/h1-3,8-12,17H,4-7H2,(H,18,20)
InChIKeyMKWALEATJSMNIE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds6

About 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide

3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide (PubChem CID 60866705) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
PubChem CID60866705
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H18N4O/c20-15(6-7-17-12-4-5-12)18-13-2-1-3-14(10-13)19-9-8-16-11-19/h1-3,8-12,17H,4-7H2,(H,18,20)
InChIKeyMKWALEATJSMNIE-UHFFFAOYSA-N
XLogP1.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
CID 43697127
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
CID 47062510
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 64825093

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide (CID 60866705) is 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide is O=C(CCNC1CC1)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The InChIKey is MKWALEATJSMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(6-7-17-12-4-5-12)18-13-2-1-3-14(10-13)19-9-8-16-11-19/h1-3,8-12,17H,4-7H2,(H,18,20).
What are the key properties of 3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.95, 6 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-ylphenyl)propanamide is sourced from PubChem (CID 60866705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).