N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide

C13H24ClNO2 — CID 103558166

IUPACN-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
SMILESCOC1(CC(=O)N(CCCCl)C(C)C)CCC1
InChIInChI=1S/C13H24ClNO2/c1-11(2)15(9-5-8-14)12(16)10-13(17-3)6-4-7-13/h11H,4-10H2,1-3H3
InChIKeyFRLWVXKMDGXWLY-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.81
Rot. Bonds7

About N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide

N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide (PubChem CID 103558166) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
PubChem CID103558166
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
SMILESCOC1(CC(=O)N(CCCCl)C(C)C)CCC1
InChIInChI=1S/C13H24ClNO2/c1-11(2)15(9-5-8-14)12(16)10-13(17-3)6-4-7-13/h11H,4-10H2,1-3H3
InChIKeyFRLWVXKMDGXWLY-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
CID 103555539
N-benzyl-N-(2-chloroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558164
N-ethyl-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520103
N-(3-chloropropyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83138254
methyl 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetate
CID 103520057
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
CID 103556661
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 107491914
2-(1-aminocyclobutyl)-N-propan-2-yl-N-propylacetamide
CID 79851810
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
CID 64686254
N-(2-bromo-3-methoxypropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103558209
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide (CID 103558166) is N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide is COC1(CC(=O)N(CCCCl)C(C)C)CCC1.
What is the InChIKey of N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide?
The InChIKey is FRLWVXKMDGXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-11(2)15(9-5-8-14)12(16)10-13(17-3)6-4-7-13/h11H,4-10H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide?
N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide has a molecular weight of 261.79 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 103558166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).