N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide

C14H20Cl2N2O — CID 119628605

IUPACN-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
SMILESCC(C)(N)CNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,17)9-18-13(19)5-3-4-10-6-7-11(15)12(16)8-10/h6-8H,3-5,9,17H2,1-2H3,(H,18,19)
InChIKeyAMZSBHDPOUGBEZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.17
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide

N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide (PubChem CID 119628605) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
PubChem CID119628605
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
SMILESCC(C)(N)CNC(=O)CCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,17)9-18-13(19)5-3-4-10-6-7-11(15)12(16)8-10/h6-8H,3-5,9,17H2,1-2H3,(H,18,19)
InChIKeyAMZSBHDPOUGBEZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
4-(3,4-dichlorophenyl)butanamide
CID 47319689
N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
CID 119630034
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 55853083
4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 55883971
N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
CID 110614985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide (CID 119628605) is N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide is CC(C)(N)CNC(=O)CCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide?
The InChIKey is AMZSBHDPOUGBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-14(2,17)9-18-13(19)5-3-4-10-6-7-11(15)12(16)8-10/h6-8H,3-5,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide?
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide has a molecular weight of 303.23 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 119628605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).