4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide

C23H30N4O3 — CID 6736248

IUPAC4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1cc(N(C)C)ccc1CN1CCC(NC(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C23H30N4O3/c1-16(28)24-19-8-5-17(6-9-19)23(29)25-20-11-12-27(15-20)14-18-7-10-21(26(2)3)13-22(18)30-4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyZRVNLTRCUKLSAQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.72
Rot. Bonds7

About 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide

4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide (PubChem CID 6736248) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide
PubChem CID6736248
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1cc(N(C)C)ccc1CN1CCC(NC(=O)c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C23H30N4O3/c1-16(28)24-19-8-5-17(6-9-19)23(29)25-20-11-12-27(15-20)14-18-7-10-21(26(2)3)13-22(18)30-4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyZRVNLTRCUKLSAQ-UHFFFAOYSA-N
XLogP2.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
methyl 4-[(3-acetamidopyrrolidin-1-yl)methyl]-3-bromobenzoate
CID 102768089
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
CID 110821964
4-[(4-benzylphenyl)carbamoyl-methylamino]-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
CID 58730707
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide (CID 6736248) is 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide is COc1cc(N(C)C)ccc1CN1CCC(NC(=O)c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is ZRVNLTRCUKLSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(28)24-19-8-5-17(6-9-19)23(29)25-20-11-12-27(15-20)14-18-7-10-21(26(2)3)13-22(18)30-4/h5-10,13,20H,11-12,14-15H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-[[4-(dimethylamino)-2-methoxyphenyl]methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 6736248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).