2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide

C14H23N3O — CID 43700591

IUPAC2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C14H23N3O/c1-9(2)13(15)14(18)16-12-7-6-11(17(4)5)8-10(12)3/h6-9,13H,15H2,1-5H3,(H,16,18)
InChIKeyRUJSNSRFPNMFPE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide

2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide (PubChem CID 43700591) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
PubChem CID43700591
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C14H23N3O/c1-9(2)13(15)14(18)16-12-7-6-11(17(4)5)8-10(12)3/h6-9,13H,15H2,1-5H3,(H,16,18)
InChIKeyRUJSNSRFPNMFPE-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
N-[1-[4-(dimethylamino)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55780216
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide (CID 43700591) is 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide is Cc1cc(N(C)C)ccc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide?
The InChIKey is RUJSNSRFPNMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)13(15)14(18)16-12-7-6-11(17(4)5)8-10(12)3/h6-9,13H,15H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide?
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 43700591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).