N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide

C16H23ClN2O3 — CID 124750493

IUPACN-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)NCc1cccc(Cl)c1)C[C@H]1COCCO1
InChIInChI=1S/C16H23ClN2O3/c1-19(11-15-12-21-7-8-22-15)6-5-16(20)18-10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyCXZPXVDAMNFZJO-HNNXBMFYSA-N
MW326.82 g/mol
LogP1.69
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide

N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide (PubChem CID 124750493) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
PubChem CID124750493
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)NCc1cccc(Cl)c1)C[C@H]1COCCO1
InChIInChI=1S/C16H23ClN2O3/c1-19(11-15-12-21-7-8-22-15)6-5-16(20)18-10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyCXZPXVDAMNFZJO-HNNXBMFYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
1-[(3-chlorophenyl)methyl]-3-(1,4-dioxan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 119132025
3-[(3-chlorophenyl)methyl]-N-(1,4-dioxan-2-ylmethyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45200128
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205641
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]propanamide
CID 25283323
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266331

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide (CID 124750493) is N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide is CN(CCC(=O)NCc1cccc(Cl)c1)C[C@H]1COCCO1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide?
The InChIKey is CXZPXVDAMNFZJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-19(11-15-12-21-7-8-22-15)6-5-16(20)18-10-13-3-2-4-14(17)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide?
N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide has a molecular weight of 326.82 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 124750493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).