2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide

C18H26N2O3 — CID 71994809

IUPAC2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
SMILESCC(C)(NC(=O)CCC1CCOCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-18(2,17(22)19-15-6-4-3-5-7-15)20-16(21)9-8-14-10-12-23-13-11-14/h3-7,14H,8-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLUDBZFQTPSMPFL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide

2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide (PubChem CID 71994809) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
PubChem CID71994809
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
SMILESCC(C)(NC(=O)CCC1CCOCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-18(2,17(22)19-15-6-4-3-5-7-15)20-16(21)9-8-14-10-12-23-13-11-14/h3-7,14H,8-13H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLUDBZFQTPSMPFL-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
N-(4-nitrosophenyl)-3-(oxepan-4-yl)propanamide
CID 145487928
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-(4-chlorophenyl)-2-[3-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977792
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-methylsulfonyl-5-[3-(oxan-4-yl)propanoylamino]benzoic acid
CID 119257900
4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 100686451
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide?
The IUPAC name of 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide (CID 71994809) is 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide?
The canonical SMILES for 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide is CC(C)(NC(=O)CCC1CCOCC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide?
The InChIKey is LUDBZFQTPSMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,17(22)19-15-6-4-3-5-7-15)20-16(21)9-8-14-10-12-23-13-11-14/h3-7,14H,8-13H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide?
2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide is sourced from PubChem (CID 71994809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).