N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide

C17H25NO3 — CID 166323814

IUPACN-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide
SMILESCc1cccc(CN(C(=O)CO[C@H]2CCOC2)C(C)C)c1
InChIInChI=1S/C17H25NO3/c1-13(2)18(10-15-6-4-5-14(3)9-15)17(19)12-21-16-7-8-20-11-16/h4-6,9,13,16H,7-8,10-12H2,1-3H3/t16-/m0/s1
InChIKeyITBGQSWZAOSNDB-INIZCTEOSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide

N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide (PubChem CID 166323814) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide
PubChem CID166323814
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide
SMILESCc1cccc(CN(C(=O)CO[C@H]2CCOC2)C(C)C)c1
InChIInChI=1S/C17H25NO3/c1-13(2)18(10-15-6-4-5-14(3)9-15)17(19)12-21-16-7-8-20-11-16/h4-6,9,13,16H,7-8,10-12H2,1-3H3/t16-/m0/s1
InChIKeyITBGQSWZAOSNDB-INIZCTEOSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
CID 120580773
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
CID 50979991
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745833
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 47000289
2-[[2-(4-bromophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615924
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132619538
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide (CID 166323814) is N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide is Cc1cccc(CN(C(=O)CO[C@H]2CCOC2)C(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide?
The InChIKey is ITBGQSWZAOSNDB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)18(10-15-6-4-5-14(3)9-15)17(19)12-21-16-7-8-20-11-16/h4-6,9,13,16H,7-8,10-12H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide?
N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide has a molecular weight of 291.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 166323814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).