4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide

C19H22N2O2 — CID 67239831

IUPAC4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-13-14-2-4-16(5-3-14)19(22)21-18-8-6-15(7-9-18)17-10-11-20-12-17/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyKMAXTOYOPUPHOG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds5

About 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide

4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide (PubChem CID 67239831) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide
PubChem CID67239831
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-13-14-2-4-16(5-3-14)19(22)21-18-8-6-15(7-9-18)17-10-11-20-12-17/h2-9,17,20H,10-13H2,1H3,(H,21,22)
InChIKeyKMAXTOYOPUPHOG-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-{[2-amino-4-(propan-2-YL)phenyl]carbamoyl}benzoate
CID 762582
4-[(4-Propan-2-ylphenyl)carbamoyl]benzoic acid
CID 13632707
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239574
Methyl 4-[[[2-(4-methoxycarbonylanilino)-2-oxoethyl]amino]methyl]benzoate
CID 2362891
2-[(5-Oxo-1-p-tolyl-pyrrolidine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 2883667
4-[(5-Oxo-1-p-tolyl-pyrrolidine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 2890459
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491262
Methyl 3-[[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
CID 16314326
Methyl 4-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)benzoate
CID 24791203
Methyl 4-({[4-(piperidin-1-ylmethyl)phenyl]carbonyl}amino)benzoate
CID 41455479
Methyl 4-[(4-tert-butylphenyl)methylamino]benzoate
CID 90656469
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 118727680

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The IUPAC name of 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide (CID 67239831) is 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide is COCc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide?
The InChIKey is KMAXTOYOPUPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-13-14-2-4-16(5-3-14)19(22)21-18-8-6-15(7-9-18)17-10-11-20-12-17/h2-9,17,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide?
4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(4-pyrrolidin-3-ylphenyl)benzamide is sourced from PubChem (CID 67239831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).