N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide

C24H30N4O3 — CID 46326563

IUPACN-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17-5-4-6-18(15-17)23(29)25-20-9-10-22(28-11-13-31-14-12-28)21(16-20)27-24(30)26-19-7-2-3-8-19/h4-6,9-10,15-16,19H,2-3,7-8,11-14H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyZQCOCLTVCXBNJD-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.15
Rot. Bonds5

About N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide

N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide (PubChem CID 46326563) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide
PubChem CID46326563
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17-5-4-6-18(15-17)23(29)25-20-9-10-22(28-11-13-31-14-12-28)21(16-20)27-24(30)26-19-7-2-3-8-19/h4-6,9-10,15-16,19H,2-3,7-8,11-14H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyZQCOCLTVCXBNJD-UHFFFAOYSA-N
XLogP4.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3,5-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326500
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
N-[3-[(3-bromophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326353
N-[3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326380
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326508
methyl 3-[[5-[(3-methylbenzoyl)amino]-2-pyrrolidin-1-ylphenyl]carbamoylamino]thiophene-2-carboxylate
CID 46326389
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide (CID 46326563) is N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)NC3CCCC3)c2)c1.
What is the InChIKey of N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide?
The InChIKey is ZQCOCLTVCXBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-5-4-6-18(15-17)23(29)25-20-9-10-22(28-11-13-31-14-12-28)21(16-20)27-24(30)26-19-7-2-3-8-19/h4-6,9-10,15-16,19H,2-3,7-8,11-14H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide?
N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylcarbamoylamino)-4-morpholin-4-ylphenyl]-3-methylbenzamide is sourced from PubChem (CID 46326563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).