N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide

C12H24ClNO — CID 63390552

IUPACN-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-6-12(4,5)11(15)14(10(2)3)9-7-8-13/h10H,6-9H2,1-5H3
InChIKeyRMNWQRTZXGIBGE-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.29
Rot. Bonds6

About N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide

N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide (PubChem CID 63390552) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide
PubChem CID63390552
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-6-12(4,5)11(15)14(10(2)3)9-7-8-13/h10H,6-9H2,1-5H3
InChIKeyRMNWQRTZXGIBGE-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide (CID 63390552) is N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide is CCC(C)(C)C(=O)N(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is RMNWQRTZXGIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-6-12(4,5)11(15)14(10(2)3)9-7-8-13/h10H,6-9H2,1-5H3.
What are the key properties of N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide?
N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 233.78 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 63390552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).