N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide

C14H21BrN2O3 — CID 111436409

IUPACN-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCO)CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3/c1-20-10-8-17(7-9-18)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11,18H,5-10H2,1H3,(H,16,19)
InChIKeyPHVQSAYVHHAFQI-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.72
Rot. Bonds9

About N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide

N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide (PubChem CID 111436409) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
PubChem CID111436409
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC NameN-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
SMILESCOCCN(CCO)CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3/c1-20-10-8-17(7-9-18)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11,18H,5-10H2,1H3,(H,16,19)
InChIKeyPHVQSAYVHHAFQI-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 115666864
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
2-[ethyl(2-methoxyethyl)amino]-N-[3-(methylamino)phenyl]acetamide
CID 71219508
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide (CID 111436409) is N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide is COCCN(CCO)CCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
The InChIKey is PHVQSAYVHHAFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-20-10-8-17(7-9-18)6-5-14(19)16-13-4-2-3-12(15)11-13/h2-4,11,18H,5-10H2,1H3,(H,16,19).
What are the key properties of N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide?
N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide has a molecular weight of 345.24 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 111436409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).