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

C20H23N3O3 — CID 42952735

IUPACN-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NOCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14(21-20(25)23-26-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)22-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyNTUCLBCQZLYKMV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.53
Rot. Bonds7

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

N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 42952735) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID42952735
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NOCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14(21-20(25)23-26-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)22-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyNTUCLBCQZLYKMV-UHFFFAOYSA-N
XLogP3.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
CID 60561914
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
benzyl N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 42927187
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 42952735) is N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NOCc1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is NTUCLBCQZLYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(21-20(25)23-26-13-15-5-3-2-4-6-15)16-9-11-18(12-10-16)22-19(24)17-7-8-17/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).