(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide

C21H29N3O — CID 125178048

IUPAC(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C1CCCCC1
InChIInChI=1S/C21H29N3O/c1-15-11-12-20-18(10-7-13-22-20)19(15)14-23-21(25)16(2)24(3)17-8-5-4-6-9-17/h7,10-13,16-17H,4-6,8-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyQELSMIVOLPJIFM-INIZCTEOSA-N
MW339.48 g/mol
LogP3.81
Rot. Bonds5

About (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide

(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide (PubChem CID 125178048) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
PubChem CID125178048
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C1CCCCC1
InChIInChI=1S/C21H29N3O/c1-15-11-12-20-18(10-7-13-22-20)19(15)14-23-21(25)16(2)24(3)17-8-5-4-6-9-17/h7,10-13,16-17H,4-6,8-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyQELSMIVOLPJIFM-INIZCTEOSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide 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

(2S)-2-(dimethylamino)-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 126448649
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-[cyclohexyl(methyl)amino]propanamide
CID 125443806
1-N,1-N-dimethyl-3-N-[(6-methylquinolin-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72888668
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
CID 77093980
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine
CID 91769249
N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120172
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide (CID 125178048) is (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide is Cc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C1CCCCC1.
What is the InChIKey of (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The InChIKey is QELSMIVOLPJIFM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-11-12-20-18(10-7-13-22-20)19(15)14-23-21(25)16(2)24(3)17-8-5-4-6-9-17/h7,10-13,16-17H,4-6,8-9,14H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide is sourced from PubChem (CID 125178048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).