N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

C24H31N3O3 — CID 60580885

IUPACN-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)COc1cccc(CNC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-16(2)15-30-22-6-4-5-18(13-22)14-25-24(29)26-17(3)19-9-11-21(12-10-19)27-23(28)20-7-8-20/h4-6,9-13,16-17,20H,7-8,14-15H2,1-3H3,(H,27,28)(H2,25,26,29)
InChIKeyOXARBPJPRUJFJY-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.63
Rot. Bonds9

About N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 60580885) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID60580885
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)COc1cccc(CNC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H31N3O3/c1-16(2)15-30-22-6-4-5-18(13-22)14-25-24(29)26-17(3)19-9-11-21(12-10-19)27-23(28)20-7-8-20/h4-6,9-13,16-17,20H,7-8,14-15H2,1-3H3,(H,27,28)(H2,25,26,29)
InChIKeyOXARBPJPRUJFJY-UHFFFAOYSA-N
XLogP4.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
1-(1-hydroxybutan-2-yl)-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 110904194
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46673676

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 60580885) is N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(C)COc1cccc(CNC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OXARBPJPRUJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-16(2)15-30-22-6-4-5-18(13-22)14-25-24(29)26-17(3)19-9-11-21(12-10-19)27-23(28)20-7-8-20/h4-6,9-13,16-17,20H,7-8,14-15H2,1-3H3,(H,27,28)(H2,25,26,29).
What are the key properties of N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60580885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).