N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide

C19H22N2O2 — CID 88968385

IUPACN-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
SMILESCC(C)(c1ccccc1)C(N)CNC(=O)c1ccccc1C=O
InChIInChI=1S/C19H22N2O2/c1-19(2,15-9-4-3-5-10-15)17(20)12-21-18(23)16-11-7-6-8-14(16)13-22/h3-11,13,17H,12,20H2,1-2H3,(H,21,23)
InChIKeyWGPZYHCVTKLLBU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds6

About N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide

N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide (PubChem CID 88968385) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
PubChem CID88968385
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
SMILESCC(C)(c1ccccc1)C(N)CNC(=O)c1ccccc1C=O
InChIInChI=1S/C19H22N2O2/c1-19(2,15-9-4-3-5-10-15)17(20)12-21-18(23)16-11-7-6-8-14(16)13-22/h3-11,13,17H,12,20H2,1-2H3,(H,21,23)
InChIKeyWGPZYHCVTKLLBU-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
(2S)-2-[(2-formylbenzoyl)amino]pentanedioic acid
CID 11529227
2-[2-[(2-formylbenzoyl)amino]ethyl]-3-hydroxy-5-[4-(4-hydroxyphenyl)phenyl]pentanoic acid
CID 88961361
2-formylbenzoic acid;methoxymethane
CID 90858085
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
CID 142265185
N-(2-chloro-3-hydroxy-3-phenylbutyl)benzamide
CID 164740573
methyl 3-(2-formylphenyl)-2,2-dimethyl-3-oxopropanoate
CID 10014249
ethyl (E)-2-methyl-3-[2-(2-methylpropylcarbamoyl)phenyl]prop-2-enoate
CID 69060486
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide?
The IUPAC name of N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide (CID 88968385) is N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide.
What is the SMILES notation for N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide?
The canonical SMILES for N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide is CC(C)(c1ccccc1)C(N)CNC(=O)c1ccccc1C=O.
What is the InChIKey of N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide?
The InChIKey is WGPZYHCVTKLLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,15-9-4-3-5-10-15)17(20)12-21-18(23)16-11-7-6-8-14(16)13-22/h3-11,13,17H,12,20H2,1-2H3,(H,21,23).
What are the key properties of N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide?
N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide is sourced from PubChem (CID 88968385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).