N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

C19H27N3O2 — CID 94148286

IUPACN-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-13(20-19(24)22-16-5-3-2-4-6-16)14-9-11-17(12-10-14)21-18(23)15-7-8-15/h9-13,15-16H,2-8H2,1H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyIEFPQFHBXIVDNY-CYBMUJFWSA-N
MW329.44 g/mol
LogP3.73
Rot. Bonds5

About N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 94148286) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID94148286
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-13(20-19(24)22-16-5-3-2-4-6-16)14-9-11-17(12-10-14)21-18(23)15-7-8-15/h9-13,15-16H,2-8H2,1H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyIEFPQFHBXIVDNY-CYBMUJFWSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 51936691
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 94148286) is N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is C[C@@H](NC(=O)NC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is IEFPQFHBXIVDNY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(20-19(24)22-16-5-3-2-4-6-16)14-9-11-17(12-10-14)21-18(23)15-7-8-15/h9-13,15-16H,2-8H2,1H3,(H,21,23)(H2,20,22,24)/t13-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 94148286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).