2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide

C14H19BrN2O3 — CID 71993930

IUPAC2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(20-13-6-4-5-12(15)7-13)8-16-14(19)10(2)17-11(3)18/h4-7,9-10H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUCRDDPWTMUABAC-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.86
Rot. Bonds6

About 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide

2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide (PubChem CID 71993930) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
PubChem CID71993930
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC(C)Oc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(20-13-6-4-5-12(15)7-13)8-16-14(19)10(2)17-11(3)18/h4-7,9-10H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUCRDDPWTMUABAC-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614
N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 96568538
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide?
The IUPAC name of 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide (CID 71993930) is 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide?
The canonical SMILES for 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide is CC(=O)NC(C)C(=O)NCC(C)Oc1cccc(Br)c1.
What is the InChIKey of 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide?
The InChIKey is UCRDDPWTMUABAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(20-13-6-4-5-12(15)7-13)8-16-14(19)10(2)17-11(3)18/h4-7,9-10H,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide?
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide has a molecular weight of 343.22 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide is sourced from PubChem (CID 71993930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).