N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

C20H23N3O2 — CID 46584043

IUPACN-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(22-20(25)21-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)23-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJBGAXZZIUULSLV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds6

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

N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46584043) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46584043
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(22-20(25)21-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)23-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyJBGAXZZIUULSLV-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 86970018

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 46584043) is N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is JBGAXZZIUULSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(22-20(25)21-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)23-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46584043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).