N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

C18H21BrN2O2 — CID 109025458

IUPACN-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-23-17-8-3-2-5-14(17)9-11-20-12-10-18(22)21-16-7-4-6-15(19)13-16/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyDRPCQEZPFUGOCV-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.62
Rot. Bonds8

About N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025458) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109025458
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-23-17-8-3-2-5-14(17)9-11-20-12-10-18(22)21-16-7-4-6-15(19)13-16/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyDRPCQEZPFUGOCV-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124
N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946963
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-(3-bromophenyl)-3-(butylamino)propanamide
CID 109012514
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109025458) is N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is COc1ccccc1CCNCCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is DRPCQEZPFUGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-23-17-8-3-2-5-14(17)9-11-20-12-10-18(22)21-16-7-4-6-15(19)13-16/h2-8,13,20H,9-12H2,1H3,(H,21,22).
What are the key properties of N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide has a molecular weight of 377.28 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).