N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide

C15H22BrNO2 — CID 113469211

IUPACN-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
SMILESCCN(CCCBr)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H22BrNO2/c1-3-17(12-4-11-16)15(18)10-7-13-5-8-14(19-2)9-6-13/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChIKeyCBPOTQIGFWJTHF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.26
Rot. Bonds8

About N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide

N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide (PubChem CID 113469211) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
PubChem CID113469211
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
SMILESCCN(CCCBr)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H22BrNO2/c1-3-17(12-4-11-16)15(18)10-7-13-5-8-14(19-2)9-6-13/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChIKeyCBPOTQIGFWJTHF-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.26
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

ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N-(2-aminoethyl)-N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 82354393
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide (CID 113469211) is N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide is CCN(CCCBr)C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide?
The InChIKey is CBPOTQIGFWJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17(12-4-11-16)15(18)10-7-13-5-8-14(19-2)9-6-13/h5-6,8-9H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide?
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide has a molecular weight of 328.25 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113469211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).