N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide

C20H22N2O3 — CID 32906627

IUPACN-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-15(16-9-4-3-5-10-16)21(2)19(23)13-8-14-22-17-11-6-7-12-18(17)25-20(22)24/h3-7,9-12,15H,8,13-14H2,1-2H3/t15-/m1/s1
InChIKeyXFMUOVXKULTJNN-OAHLLOKOSA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds6

About N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide

N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 32906627) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
PubChem CID32906627
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-15(16-9-4-3-5-10-16)21(2)19(23)13-8-14-22-17-11-6-7-12-18(17)25-20(22)24/h3-7,9-12,15H,8,13-14H2,1-2H3/t15-/m1/s1
InChIKeyXFMUOVXKULTJNN-OAHLLOKOSA-N
XLogP3.59
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 42990131
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 8986652
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55689930
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
[(2R)-1-amino-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41240288
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18113379
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide (CID 32906627) is N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide is C[C@H](c1ccccc1)N(C)C(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is XFMUOVXKULTJNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(16-9-4-3-5-10-16)21(2)19(23)13-8-14-22-17-11-6-7-12-18(17)25-20(22)24/h3-7,9-12,15H,8,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide?
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 338.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 32906627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).