(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

C23H31N3O2 — CID 25468215

IUPAC(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C23H31N3O2/c1-17-9-10-21(18(2)15-17)24-23(27)19(3)25(4)16-20-7-5-6-8-22(20)26-11-13-28-14-12-26/h5-10,15,19H,11-14,16H2,1-4H3,(H,24,27)/t19-/m0/s1
InChIKeyOOAIIQJHCBSOGA-IBGZPJMESA-N
MW381.52 g/mol
LogP3.60
Rot. Bonds6

About (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide

(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (PubChem CID 25468215) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
PubChem CID25468215
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C23H31N3O2/c1-17-9-10-21(18(2)15-17)24-23(27)19(3)25(4)16-20-7-5-6-8-22(20)26-11-13-28-14-12-26/h5-10,15,19H,11-14,16H2,1-4H3,(H,24,27)/t19-/m0/s1
InChIKeyOOAIIQJHCBSOGA-IBGZPJMESA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2R)-N-(2-chloro-4-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25329070
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912252
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491927
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide (CID 25468215) is (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2N2CCOCC2)c(C)c1.
What is the InChIKey of (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
The InChIKey is OOAIIQJHCBSOGA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-9-10-21(18(2)15-17)24-23(27)19(3)25(4)16-20-7-5-6-8-22(20)26-11-13-28-14-12-26/h5-10,15,19H,11-14,16H2,1-4H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide?
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 25468215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).