4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide

C18H25NO4 — CID 94815353

IUPAC4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-21-15-8-6-14(7-9-15)18(20)19(12-16-4-2-10-22-16)13-17-5-3-11-23-17/h6-9,16-17H,2-5,10-13H2,1H3/t16-,17-/m0/s1
InChIKeyLUUHCUWRNFRANB-IRXDYDNUSA-N
MW319.40 g/mol
LogP2.50
Rot. Bonds6

About 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide

4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 94815353) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID94815353
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H25NO4/c1-21-15-8-6-14(7-9-15)18(20)19(12-16-4-2-10-22-16)13-17-5-3-11-23-17/h6-9,16-17H,2-5,10-13H2,1H3/t16-,17-/m0/s1
InChIKeyLUUHCUWRNFRANB-IRXDYDNUSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93337752
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
4-methoxy-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42527604
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70730348
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
ethyl 4-[2-[(4-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42672420
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide (CID 94815353) is 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LUUHCUWRNFRANB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25NO4/c1-21-15-8-6-14(7-9-15)18(20)19(12-16-4-2-10-22-16)13-17-5-3-11-23-17/h6-9,16-17H,2-5,10-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide?
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 319.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 94815353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).