4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide

C24H23N3O3 — CID 55678662

IUPAC4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)cc2)c1
InChIInChI=1S/C24H23N3O3/c1-16-3-2-4-22(15-16)30-21-13-11-18(12-14-21)25-23(28)17-5-7-19(8-6-17)26-24(29)27-20-9-10-20/h2-8,11-15,20H,9-10H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyQHTBKVWQFNBRFL-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.32
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide (PubChem CID 55678662) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
PubChem CID55678662
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)cc2)c1
InChIInChI=1S/C24H23N3O3/c1-16-3-2-4-22(15-16)30-21-13-11-18(12-14-21)25-23(28)17-5-7-19(8-6-17)26-24(29)27-20-9-10-20/h2-8,11-15,20H,9-10H2,1H3,(H,25,28)(H2,26,27,29)
InChIKeyQHTBKVWQFNBRFL-UHFFFAOYSA-N
XLogP5.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide (CID 55678662) is 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide is Cc1cccc(Oc2ccc(NC(=O)c3ccc(NC(=O)NC4CC4)cc3)cc2)c1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide?
The InChIKey is QHTBKVWQFNBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-3-2-4-22(15-16)30-21-13-11-18(12-14-21)25-23(28)17-5-7-19(8-6-17)26-24(29)27-20-9-10-20/h2-8,11-15,20H,9-10H2,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 55678662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).