2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide

C30H36N4O4 — CID 58730686

IUPAC2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(NC(=O)N(C)c2ccc(Oc3ccccc3)cc2)ccc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C30H36N4O4/c1-33(24-13-15-26(16-14-24)38-25-10-5-3-6-11-25)30(36)32-23-12-17-27(28(22-23)37-2)29(35)31-18-9-21-34-19-7-4-8-20-34/h3,5-6,10-17,22H,4,7-9,18-21H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyKNSQUWDFNZFHBC-UHFFFAOYSA-N
MW516.64 g/mol
LogP5.76
Rot. Bonds10

About 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide

2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 58730686) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID58730686
Molecular FormulaC30H36N4O4
Molecular Weight516.64 g/mol
Exact Mass516.27
IUPAC Name2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCOc1cc(NC(=O)N(C)c2ccc(Oc3ccccc3)cc2)ccc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C30H36N4O4/c1-33(24-13-15-26(16-14-24)38-25-10-5-3-6-11-25)30(36)32-23-12-17-27(28(22-23)37-2)29(35)31-18-9-21-34-19-7-4-8-20-34/h3,5-6,10-17,22H,4,7-9,18-21H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyKNSQUWDFNZFHBC-UHFFFAOYSA-N
XLogP5.76
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 91340602
N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
CID 69329506
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
N-[4-(chloroamino)butyl]-2-methoxy-4-phenoxybenzamide
CID 89281710
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 35377857
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
CID 58730707

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide (CID 58730686) is 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide is COc1cc(NC(=O)N(C)c2ccc(Oc3ccccc3)cc2)ccc1C(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is KNSQUWDFNZFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4/c1-33(24-13-15-26(16-14-24)38-25-10-5-3-6-11-25)30(36)32-23-12-17-27(28(22-23)37-2)29(35)31-18-9-21-34-19-7-4-8-20-34/h3,5-6,10-17,22H,4,7-9,18-21H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide?
2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 516.64 g/mol, XLogP of 5.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 58730686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).