3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide

C19H23N3O2 — CID 27230301

IUPAC3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-14(23)21-17-11-7-10-16(12-17)19(24)20-13-18(22(2)3)15-8-5-4-6-9-15/h4-12,18H,13H2,1-3H3,(H,20,24)(H,21,23)/t18-/m1/s1
InChIKeyCNWDMCJANYJYJO-GOSISDBHSA-N
MW325.41 g/mol
LogP2.68
Rot. Bonds6

About 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide

3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide (PubChem CID 27230301) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
PubChem CID27230301
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-14(23)21-17-11-7-10-16(12-17)19(24)20-13-18(22(2)3)15-8-5-4-6-9-15/h4-12,18H,13H2,1-3H3,(H,20,24)(H,21,23)/t18-/m1/s1
InChIKeyCNWDMCJANYJYJO-GOSISDBHSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 51151148
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-(carbamoylamino)-N-(2,2-diphenylethyl)benzamide
CID 26313248
3-acetamido-N-ethylbenzamide
CID 17230670
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide (CID 27230301) is 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide is CC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1.
What is the InChIKey of 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide?
The InChIKey is CNWDMCJANYJYJO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(23)21-17-11-7-10-16(12-17)19(24)20-13-18(22(2)3)15-8-5-4-6-9-15/h4-12,18H,13H2,1-3H3,(H,20,24)(H,21,23)/t18-/m1/s1.
What are the key properties of 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide?
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 27230301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).