N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide

C16H25ClN2O — CID 119996737

IUPACN-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCC(C)CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-4-16(5-2,13-6-8-14(17)9-7-13)15(20)19-11-12(3)10-18/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,19,20)
InChIKeyNEWMWIRVZVUWCG-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.11
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide

N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide (PubChem CID 119996737) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
PubChem CID119996737
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)(C(=O)NCC(C)CN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-4-16(5-2,13-6-8-14(17)9-7-13)15(20)19-11-12(3)10-18/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,19,20)
InChIKeyNEWMWIRVZVUWCG-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide (CID 119996737) is N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide is CCC(CC)(C(=O)NCC(C)CN)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide?
The InChIKey is NEWMWIRVZVUWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-16(5-2,13-6-8-14(17)9-7-13)15(20)19-11-12(3)10-18/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide?
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide has a molecular weight of 296.84 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide is sourced from PubChem (CID 119996737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).