N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

C23H27N3O2 — CID 42891913

IUPACN-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16(17-9-11-20(12-10-17)26-21(27)18-7-8-18)25-22(28)24-15-23(13-14-23)19-5-3-2-4-6-19/h2-6,9-12,16,18H,7-8,13-15H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyQXCQHHGZSPNGND-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.13
Rot. Bonds7

About N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 42891913) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID42891913
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-16(17-9-11-20(12-10-17)26-21(27)18-7-8-18)25-22(28)24-15-23(13-14-23)19-5-3-2-4-6-19/h2-6,9-12,16,18H,7-8,13-15H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyQXCQHHGZSPNGND-UHFFFAOYSA-N
XLogP4.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
1-[(1-phenylcyclopropyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163986
N-[4-[1-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 86860974
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 42891913) is N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QXCQHHGZSPNGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(17-9-11-20(12-10-17)26-21(27)18-7-8-18)25-22(28)24-15-23(13-14-23)19-5-3-2-4-6-19/h2-6,9-12,16,18H,7-8,13-15H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42891913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).