N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C23H31N3O — CID 60563699

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCCN(c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1)C(C)C
InChIInChI=1S/C23H31N3O/c1-4-26(18(2)3)22-12-10-21(11-13-22)24-23(27)20-9-7-8-19(16-20)17-25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeySLEKRNDEIZHWKG-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 60563699) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID60563699
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCCN(c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1)C(C)C
InChIInChI=1S/C23H31N3O/c1-4-26(18(2)3)22-12-10-21(11-13-22)24-23(27)20-9-7-8-19(16-20)17-25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,24,27)
InChIKeySLEKRNDEIZHWKG-UHFFFAOYSA-N
XLogP4.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)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

N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925182
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-(4-methyl-3-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560572
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 60563699) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is CCN(c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is SLEKRNDEIZHWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-26(18(2)3)22-12-10-21(11-13-22)24-23(27)20-9-7-8-19(16-20)17-25-14-5-6-15-25/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 365.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 60563699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).