N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide

C16H19N3O — CID 18395370

IUPACN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide
SMILESO=CN(CCCc1ccccc1)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C16H19N3O/c20-12-19(8-4-7-13-5-2-1-3-6-13)16-9-14(16)15-10-17-11-18-15/h1-3,5-6,10-12,14,16H,4,7-9H2,(H,17,18)/t14-,16+/m0/s1
InChIKeyUPLBOZJHZYGMPO-GOEBONIOSA-N
MW269.35 g/mol
LogP2.36
Rot. Bonds7

About N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide

N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide (PubChem CID 18395370) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide
PubChem CID18395370
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide
SMILESO=CN(CCCc1ccccc1)[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C16H19N3O/c20-12-19(8-4-7-13-5-2-1-3-6-13)16-9-14(16)15-10-17-11-18-15/h1-3,5-6,10-12,14,16H,4,7-9H2,(H,17,18)/t14-,16+/m0/s1
InChIKeyUPLBOZJHZYGMPO-GOEBONIOSA-N
XLogP2.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-[3-(2-methylpiperidin-1-yl)propyl]formamide
CID 18396668
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
CID 19593146
(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 70189527
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
CID 18395376
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 123810509
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide?
The IUPAC name of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide (CID 18395370) is N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide.
What is the SMILES notation for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide?
The canonical SMILES for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide is O=CN(CCCc1ccccc1)[C@@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide?
The InChIKey is UPLBOZJHZYGMPO-GOEBONIOSA-N. The full InChI is InChI=1S/C16H19N3O/c20-12-19(8-4-7-13-5-2-1-3-6-13)16-9-14(16)15-10-17-11-18-15/h1-3,5-6,10-12,14,16H,4,7-9H2,(H,17,18)/t14-,16+/m0/s1.
What are the key properties of N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide?
N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide has a molecular weight of 269.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide is sourced from PubChem (CID 18395370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).