2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide

C14H22ClN3O — CID 54862641

IUPAC2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-9(2)7-12(16)14(19)17-10-5-6-13(18(3)4)11(15)8-10/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19)
InChIKeyMRZVXPMJMOYAKQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide

2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide (PubChem CID 54862641) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
PubChem CID54862641
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(N(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-9(2)7-12(16)14(19)17-10-5-6-13(18(3)4)11(15)8-10/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19)
InChIKeyMRZVXPMJMOYAKQ-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.72
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

2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
CID 119742691
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-chloro-1-N,1-N-dimethyl-4-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 63450957
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide (CID 54862641) is 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1ccc(N(C)C)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide?
The InChIKey is MRZVXPMJMOYAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)7-12(16)14(19)17-10-5-6-13(18(3)4)11(15)8-10/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide?
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide has a molecular weight of 283.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide is sourced from PubChem (CID 54862641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).