3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide

C20H25N3O2 — CID 94656549

IUPAC3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-15-8-10-17(11-9-15)14(2)22-20(25)23(3)13-16-6-5-7-18(12-16)19(21)24/h5-12,14H,4,13H2,1-3H3,(H2,21,24)(H,22,25)/t14-/m0/s1
InChIKeyZTDYHTFFTNFZNX-AWEZNQCLSA-N
MW339.44 g/mol
LogP3.25
Rot. Bonds6

About 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide

3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide (PubChem CID 94656549) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide
PubChem CID94656549
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-15-8-10-17(11-9-15)14(2)22-20(25)23(3)13-16-6-5-7-18(12-16)19(21)24/h5-12,14H,4,13H2,1-3H3,(H2,21,24)(H,22,25)/t14-/m0/s1
InChIKeyZTDYHTFFTNFZNX-AWEZNQCLSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
3-[(dipropylamino)methyl]benzamide
CID 82041313
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea
CID 86812581
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 75833918

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide (CID 94656549) is 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide is CCc1ccc([C@H](C)NC(=O)N(C)Cc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide?
The InChIKey is ZTDYHTFFTNFZNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-15-8-10-17(11-9-15)14(2)22-20(25)23(3)13-16-6-5-7-18(12-16)19(21)24/h5-12,14H,4,13H2,1-3H3,(H2,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide?
3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl-methylamino]methyl]benzamide is sourced from PubChem (CID 94656549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).