2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C27H29N3O3 — CID 17418127

IUPAC2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-14-12-22(13-15-23)26(31)29-25-7-3-2-6-24(25)27(32)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h2-3,6-15H,4-5,16-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyUJWQIJGXKQTTFE-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.47
Rot. Bonds8

About 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 17418127) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID17418127
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-14-12-22(13-15-23)26(31)29-25-7-3-2-6-24(25)27(32)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h2-3,6-15H,4-5,16-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyUJWQIJGXKQTTFE-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846478
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 17418127) is 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is UJWQIJGXKQTTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-23-14-12-22(13-15-23)26(31)29-25-7-3-2-6-24(25)27(32)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h2-3,6-15H,4-5,16-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17418127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).