N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide

C12H22BrNO — CID 103166636

IUPACN-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
SMILESCC(C)N(CCCBr)C(=O)CC1CCC1
InChIInChI=1S/C12H22BrNO/c1-10(2)14(8-4-7-13)12(15)9-11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyHEHTYWNGQXOXNX-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.20
Rot. Bonds6

About N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide

N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide (PubChem CID 103166636) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
PubChem CID103166636
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
SMILESCC(C)N(CCCBr)C(=O)CC1CCC1
InChIInChI=1S/C12H22BrNO/c1-10(2)14(8-4-7-13)12(15)9-11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyHEHTYWNGQXOXNX-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
CID 63612231
N-(3-chloropropyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83138254
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-(4-aminocyclohexyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82961246
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide?
The IUPAC name of N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide (CID 103166636) is N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide is CC(C)N(CCCBr)C(=O)CC1CCC1.
What is the InChIKey of N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide?
The InChIKey is HEHTYWNGQXOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10(2)14(8-4-7-13)12(15)9-11-5-3-6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide?
N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide has a molecular weight of 276.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide is sourced from PubChem (CID 103166636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).