N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

C24H31N3O4 — CID 4574277

IUPACN-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCC1
InChIInChI=1S/C24H31N3O4/c1-5-16(2)25-24(29)20-14-17(8-11-21(20)27-12-6-7-13-27)26-23(28)19-10-9-18(30-3)15-22(19)31-4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyLTVPYFATJRXDPO-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.08
Rot. Bonds8

About N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide

N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 4574277) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
PubChem CID4574277
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCC1
InChIInChI=1S/C24H31N3O4/c1-5-16(2)25-24(29)20-14-17(8-11-21(20)27-12-6-7-13-27)26-23(28)19-10-9-18(30-3)15-22(19)31-4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyLTVPYFATJRXDPO-UHFFFAOYSA-N
XLogP4.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-2,6-dimethoxybenzamide
CID 1059204
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
CID 1059167
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide (CID 4574277) is N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCCC1.
What is the InChIKey of N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is LTVPYFATJRXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-16(2)25-24(29)20-14-17(8-11-21(20)27-12-6-7-13-27)26-23(28)19-10-9-18(30-3)15-22(19)31-4/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide?
N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 425.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4574277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).