N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

C19H28N2O3 — CID 122142633

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCC(=O)N2CCOCC2)c1
InChIInChI=1S/C19H28N2O3/c1-14-10-15(2)12-17(11-14)13-16(3)20-18(22)4-5-19(23)21-6-8-24-9-7-21/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyJFGPIMWOSLZIKS-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.99
Rot. Bonds6

About N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 122142633) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID122142633
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CCC(=O)N2CCOCC2)c1
InChIInChI=1S/C19H28N2O3/c1-14-10-15(2)12-17(11-14)13-16(3)20-18(22)4-5-19(23)21-6-8-24-9-7-21/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyJFGPIMWOSLZIKS-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]pentanamide
CID 120563508
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methoxyacetamide
CID 71998958
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9419010
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 9451669
(6R)-4-N-[1-(3,5-dimethylphenyl)propan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 122137895
ethane;N-[1-[3-(morpholine-4-carbonyl)phenyl]propan-2-yl]acetamide
CID 142839545
N-[(2S)-1-(3,5-dimethylphenyl)propan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95975963
(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 122142633) is N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is Cc1cc(C)cc(CC(C)NC(=O)CCC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is JFGPIMWOSLZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-10-15(2)12-17(11-14)13-16(3)20-18(22)4-5-19(23)21-6-8-24-9-7-21/h10-12,16H,4-9,13H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 332.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 122142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).