5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

C24H32N4O5 — CID 42661960

IUPAC5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2cc(OC)cc(OC)c2)ccc1N1CCCC1
InChIInChI=1S/C24H32N4O5/c1-31-12-6-9-25-23(29)21-15-17(7-8-22(21)28-10-4-5-11-28)26-24(30)27-18-13-19(32-2)16-20(14-18)33-3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyGQLYTOQDGXJELR-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.71
Rot. Bonds10

About 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42661960) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42661960
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2cc(OC)cc(OC)c2)ccc1N1CCCC1
InChIInChI=1S/C24H32N4O5/c1-31-12-6-9-25-23(29)21-15-17(7-8-22(21)28-10-4-5-11-28)26-24(30)27-18-13-19(32-2)16-20(14-18)33-3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyGQLYTOQDGXJELR-UHFFFAOYSA-N
XLogP3.71
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5188732
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[(2-ethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4643884
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 42661960) is 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)Nc2cc(OC)cc(OC)c2)ccc1N1CCCC1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GQLYTOQDGXJELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-31-12-6-9-25-23(29)21-15-17(7-8-22(21)28-10-4-5-11-28)26-24(30)27-18-13-19(32-2)16-20(14-18)33-3/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,25,29)(H2,26,27,30).
What are the key properties of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 456.54 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42661960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).