N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide

C27H29N3O2 — CID 55742072

IUPACN-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19-12-15-23(29-26(31)22-13-14-22)18-25(19)30-27(32)28-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyJBZUHRMMMZXXPK-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.69
Rot. Bonds8

About N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide

N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55742072) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55742072
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c1-19-12-15-23(29-26(31)22-13-14-22)18-25(19)30-27(32)28-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyJBZUHRMMMZXXPK-UHFFFAOYSA-N
XLogP5.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
N-[3-[[(2S)-2-cyanopropyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 95975285
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031
N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
CID 119290704
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 47041698
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46478274
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 125169332

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide (CID 55742072) is N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is JBZUHRMMMZXXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19-12-15-23(29-26(31)22-13-14-22)18-25(19)30-27(32)28-17-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,15,18,22,24H,13-14,16-17H2,1H3,(H,29,31)(H2,28,30,32).
What are the key properties of N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide?
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.69, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).