2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide

C11H20BrNO2 — CID 62854201

IUPAC2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
SMILESCCC(Br)C(=O)NCCCOCC1CC1
InChIInChI=1S/C11H20BrNO2/c1-2-10(12)11(14)13-6-3-7-15-8-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyLKSDROHBEDWXQJ-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds8

About 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide

2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide (PubChem CID 62854201) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
PubChem CID62854201
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
SMILESCCC(Br)C(=O)NCCCOCC1CC1
InChIInChI=1S/C11H20BrNO2/c1-2-10(12)11(14)13-6-3-7-15-8-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyLKSDROHBEDWXQJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]butanoic acid
CID 103994493
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
CID 103603734
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
methyl 4-(2-bromobutanoylamino)butanoate
CID 62855279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide?
The IUPAC name of 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide (CID 62854201) is 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide?
The canonical SMILES for 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide is CCC(Br)C(=O)NCCCOCC1CC1.
What is the InChIKey of 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide?
The InChIKey is LKSDROHBEDWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-2-10(12)11(14)13-6-3-7-15-8-9-4-5-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide?
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide is sourced from PubChem (CID 62854201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).