N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide

C11H20ClNO2 — CID 106155081

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide
SMILESCOCC(CCCl)NC(=O)C(C)C1CC1
InChIInChI=1S/C11H20ClNO2/c1-8(9-3-4-9)11(14)13-10(5-6-12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyTXBGKQBMVXEUND-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.79
Rot. Bonds7

About N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide

N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide (PubChem CID 106155081) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide
PubChem CID106155081
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide
SMILESCOCC(CCCl)NC(=O)C(C)C1CC1
InChIInChI=1S/C11H20ClNO2/c1-8(9-3-4-9)11(14)13-10(5-6-12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyTXBGKQBMVXEUND-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.79
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

N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106155742
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
N-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
(2S)-2-(2-cyclopropylpropanoylamino)-4-methoxy-4-oxobutanoic acid
CID 83146560
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
N-(4-chloro-1-methoxybutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106155078
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide (CID 106155081) is N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide is COCC(CCCl)NC(=O)C(C)C1CC1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide?
The InChIKey is TXBGKQBMVXEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(9-3-4-9)11(14)13-10(5-6-12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide?
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide has a molecular weight of 233.74 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 106155081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).