2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide

C16H22N2O3 — CID 96531108

IUPAC2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-15(19)9-12-4-6-13(7-5-12)18-14-8-11(3)21-16(14)20/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyMJOBMRBSHHDWCG-SMDDNHRTSA-N
MW290.36 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 96531108) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID96531108
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-10(2)17-15(19)9-12-4-6-13(7-5-12)18-14-8-11(3)21-16(14)20/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyMJOBMRBSHHDWCG-SMDDNHRTSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-3-(4-bromoanilino)-5-methyloxolan-2-one
CID 93233557
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
CID 95789092
N-[4-[[(3S,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]thiophene-2-carboxamide
CID 96531289
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
7-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96531363
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide (CID 96531108) is 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(N[C@@H]2C[C@H](C)OC2=O)cc1.
What is the InChIKey of 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is MJOBMRBSHHDWCG-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)17-15(19)9-12-4-6-13(7-5-12)18-14-8-11(3)21-16(14)20/h4-7,10-11,14,18H,8-9H2,1-3H3,(H,17,19)/t11-,14+/m0/s1.
What are the key properties of 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 96531108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).