N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

C18H26N2O3 — CID 94823366

IUPACN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-4-20(11-15-7-8-23-12-15)17(21)10-19-18(22)16-6-5-13(2)14(3)9-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyHMRYWUUHGNHHAR-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.92
Rot. Bonds6

About N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 94823366) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID94823366
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-4-20(11-15-7-8-23-12-15)17(21)10-19-18(22)16-6-5-13(2)14(3)9-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyHMRYWUUHGNHHAR-HNNXBMFYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 94820192
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 94823366) is N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is CCN(C[C@@H]1CCOC1)C(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is HMRYWUUHGNHHAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20(11-15-7-8-23-12-15)17(21)10-19-18(22)16-6-5-13(2)14(3)9-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 94823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).