5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide

C18H23N3O — CID 100655116

IUPAC5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1
InChIInChI=1S/C18H23N3O/c1-13(8-9-14-6-4-3-5-7-14)21-17-11-10-15(19)12-16(17)18(22)20-2/h3-7,10-13,21H,8-9,19H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyUECBASFGPPTMBA-CYBMUJFWSA-N
MW297.40 g/mol
LogP3.06
Rot. Bonds6

About 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide

5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide (PubChem CID 100655116) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
PubChem CID100655116
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1
InChIInChI=1S/C18H23N3O/c1-13(8-9-14-6-4-3-5-7-14)21-17-11-10-15(19)12-16(17)18(22)20-2/h3-7,10-13,21H,8-9,19H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyUECBASFGPPTMBA-CYBMUJFWSA-N
XLogP3.06
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
4-amino-N-methyl-2-(4-methylsulfanylbutan-2-ylamino)benzamide
CID 113476993
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
3-amino-N-methyl-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379230

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The IUPAC name of 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide (CID 100655116) is 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide.
What is the SMILES notation for 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The canonical SMILES for 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide is CNC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1.
What is the InChIKey of 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The InChIKey is UECBASFGPPTMBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(8-9-14-6-4-3-5-7-14)21-17-11-10-15(19)12-16(17)18(22)20-2/h3-7,10-13,21H,8-9,19H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide is sourced from PubChem (CID 100655116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).