N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide

C18H24N2O3 — CID 110634144

IUPACN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C18H24N2O3/c1-13-5-2-3-6-14(13)7-4-8-17(21)19-11-16-12-20(15-9-10-15)18(22)23-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,19,21)
InChIKeyNLPFKUDTYWFKPU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.42
Rot. Bonds7

About N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide

N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide (PubChem CID 110634144) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide
PubChem CID110634144
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1CN(C2CC2)C(=O)O1
InChIInChI=1S/C18H24N2O3/c1-13-5-2-3-6-14(13)7-4-8-17(21)19-11-16-12-20(15-9-10-15)18(22)23-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,19,21)
InChIKeyNLPFKUDTYWFKPU-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 53548302
3-[6-(2-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145976493
N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide
CID 71956252
N-cyclopropyl-4-(2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 86771872
4(S)-(1-methylethyl)-3-(2(R)-methyl-1-oxo-3-phenylpropyl)-2-oxazolidinone
CID 10901828
1-[2-(4-Fluorophenyl)ethyl]-5-{2-[(2-methoxyethyl)amino]ethyl}-2-pyrrolidinone
CID 45191997
1-[(5-Fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 45252200
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 53600432
3-(4-fluorophenyl)-N-[1-(2-methoxyethyl)pyrrolidin-3-yl]propanamide
CID 56783504
2-(2-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 95980648

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide?
The IUPAC name of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide (CID 110634144) is N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(=O)NCC1CN(C2CC2)C(=O)O1.
What is the InChIKey of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide?
The InChIKey is NLPFKUDTYWFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-2-3-6-14(13)7-4-8-17(21)19-11-16-12-20(15-9-10-15)18(22)23-16/h2-3,5-6,15-16H,4,7-12H2,1H3,(H,19,21).
What are the key properties of N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide?
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide has a molecular weight of 316.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 110634144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).