4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide

C25H25N3O2 — CID 55677877

IUPAC4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-9-19(10-8-17)23(18-5-3-2-4-6-18)28-24(29)20-11-13-21(14-12-20)26-25(30)27-22-15-16-22/h2-14,22-23H,15-16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyMFIMCAQNFHFHAS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.80
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 55677877) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID55677877
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-9-19(10-8-17)23(18-5-3-2-4-6-18)28-24(29)20-11-13-21(14-12-20)26-25(30)27-22-15-16-22/h2-14,22-23H,15-16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyMFIMCAQNFHFHAS-UHFFFAOYSA-N
XLogP4.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
CID 48588082
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide (CID 55677877) is 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is MFIMCAQNFHFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-7-9-19(10-8-17)23(18-5-3-2-4-6-18)28-24(29)20-11-13-21(14-12-20)26-25(30)27-22-15-16-22/h2-14,22-23H,15-16H2,1H3,(H,28,29)(H2,26,27,30).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 55677877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).