N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C21H25N3O3 — CID 55742102

IUPACN-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-4-9-17(22-20(25)16-7-8-16)12-19(14)23-21(26)24(2)13-15-5-10-18(27-3)11-6-15/h4-6,9-12,16H,7-8,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWFLUDTMFSYMXPL-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55742102) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55742102
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H25N3O3/c1-14-4-9-17(22-20(25)16-7-8-16)12-19(14)23-21(26)24(2)13-15-5-10-18(27-3)11-6-15/h4-6,9-12,16H,7-8,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWFLUDTMFSYMXPL-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
CID 118776111
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
N-[3-[bis(thiophen-2-ylmethyl)carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 75371409
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-[3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 46487349
N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 87001215
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55742102) is N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide is COc1ccc(CN(C)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1.
What is the InChIKey of N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is WFLUDTMFSYMXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-4-9-17(22-20(25)16-7-8-16)12-19(14)23-21(26)24(2)13-15-5-10-18(27-3)11-6-15/h4-6,9-12,16H,7-8,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55742102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).