3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide

C11H23ClN2O — CID 43695730

IUPAC3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)CCCl
InChIInChI=1S/C11H23ClN2O/c1-9(2)7-10(8-14(3)4)13-11(15)5-6-12/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyTZAABLFMYJSFFR-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.71
Rot. Bonds7

About 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide

3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide (PubChem CID 43695730) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
PubChem CID43695730
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)CCCl
InChIInChI=1S/C11H23ClN2O/c1-9(2)7-10(8-14(3)4)13-11(15)5-6-12/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyTZAABLFMYJSFFR-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403
tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
CID 106707208
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 79281897
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331994
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide (CID 43695730) is 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide is CC(C)CC(CN(C)C)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The InChIKey is TZAABLFMYJSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O/c1-9(2)7-10(8-14(3)4)13-11(15)5-6-12/h9-10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide has a molecular weight of 234.77 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide is sourced from PubChem (CID 43695730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).