(2R)-N-(3-aminophenyl)-2-methylpentanamide

C12H18N2O — CID 40788841

IUPAC(2R)-N-(3-aminophenyl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N2O/c1-3-5-9(2)12(15)14-11-7-4-6-10(13)8-11/h4,6-9H,3,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQSBVERKBBLOVPL-SECBINFHSA-N
MW206.29 g/mol
LogP2.64
Rot. Bonds4

About (2R)-N-(3-aminophenyl)-2-methylpentanamide

(2R)-N-(3-aminophenyl)-2-methylpentanamide (PubChem CID 40788841) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-N-(3-aminophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3-aminophenyl)-2-methylpentanamide
PubChem CID40788841
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2R)-N-(3-aminophenyl)-2-methylpentanamide
SMILESCCC[C@@H](C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N2O/c1-3-5-9(2)12(15)14-11-7-4-6-10(13)8-11/h4,6-9H,3,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyQSBVERKBBLOVPL-SECBINFHSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
2-methyl-N-phenylpentanamide
CID 4627801
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
pentan-2-yl N-(3-aminophenyl)carbamate
CID 102982916
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-aminophenyl)-2-methylpentanamide?
The IUPAC name of (2R)-N-(3-aminophenyl)-2-methylpentanamide (CID 40788841) is (2R)-N-(3-aminophenyl)-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(3-aminophenyl)-2-methylpentanamide?
The canonical SMILES for (2R)-N-(3-aminophenyl)-2-methylpentanamide is CCC[C@@H](C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of (2R)-N-(3-aminophenyl)-2-methylpentanamide?
The InChIKey is QSBVERKBBLOVPL-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-9(2)12(15)14-11-7-4-6-10(13)8-11/h4,6-9H,3,5,13H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-aminophenyl)-2-methylpentanamide?
(2R)-N-(3-aminophenyl)-2-methylpentanamide has a molecular weight of 206.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-aminophenyl)-2-methylpentanamide is sourced from PubChem (CID 40788841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).