(2S)-N-(3-aminophenyl)-2-methylbutanamide

C11H16N2O — CID 40788840

IUPAC(2S)-N-(3-aminophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRZFQFLSLDPAKQS-QMMMGPOBSA-N
MW192.26 g/mol
LogP2.25
Rot. Bonds3

About (2S)-N-(3-aminophenyl)-2-methylbutanamide

(2S)-N-(3-aminophenyl)-2-methylbutanamide (PubChem CID 40788840) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-N-(3-aminophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-aminophenyl)-2-methylbutanamide
PubChem CID40788840
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-N-(3-aminophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRZFQFLSLDPAKQS-QMMMGPOBSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.25
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
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-aminophenyl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(3-aminophenyl)-2-methylbutanamide (CID 40788840) is (2S)-N-(3-aminophenyl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(3-aminophenyl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(3-aminophenyl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of (2S)-N-(3-aminophenyl)-2-methylbutanamide?
The InChIKey is RZFQFLSLDPAKQS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(3-aminophenyl)-2-methylbutanamide?
(2S)-N-(3-aminophenyl)-2-methylbutanamide has a molecular weight of 192.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-aminophenyl)-2-methylbutanamide is sourced from PubChem (CID 40788840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).