N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C23H30N4O2 — CID 47051980

IUPACN-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1
InChIInChI=1S/C23H30N4O2/c1-17(2)24-23(29)25-20-11-8-10-18(15-20)22(28)26(3)16-19-9-4-5-12-21(19)27-13-6-7-14-27/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3,(H2,24,25,29)
InChIKeySIUZDQBRKMKZIF-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 47051980) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID47051980
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1
InChIInChI=1S/C23H30N4O2/c1-17(2)24-23(29)25-20-11-8-10-18(15-20)22(28)26(3)16-19-9-4-5-12-21(19)27-13-6-7-14-27/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3,(H2,24,25,29)
InChIKeySIUZDQBRKMKZIF-UHFFFAOYSA-N
XLogP4.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide 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

ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 47051980) is N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1.
What is the InChIKey of N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is SIUZDQBRKMKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(2)24-23(29)25-20-11-8-10-18(15-20)22(28)26(3)16-19-9-4-5-12-21(19)27-13-6-7-14-27/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3,(H2,24,25,29).
What are the key properties of N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 47051980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).