3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C13H17NO3 — CID 669434

IUPAC3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyCXNMRTSCFAKPIT-LBPRGKRZSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds4

About 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 669434) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID669434
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyCXNMRTSCFAKPIT-LBPRGKRZSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
3-[(4-methoxybenzoyl)carbamothioylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42580174
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 669434) is 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1cccc(C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is CXNMRTSCFAKPIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 669434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).