N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide

C15H18BrN3O3 — CID 136512597

IUPACN-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide
SMILESCC(CNC(=O)N1CCOC(C#N)C1)Oc1ccccc1Br
InChIInChI=1S/C15H18BrN3O3/c1-11(22-14-5-3-2-4-13(14)16)9-18-15(20)19-6-7-21-12(8-17)10-19/h2-5,11-12H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyNHGVJUCQKZHGQG-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide

N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide (PubChem CID 136512597) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide
PubChem CID136512597
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide
SMILESCC(CNC(=O)N1CCOC(C#N)C1)Oc1ccccc1Br
InChIInChI=1S/C15H18BrN3O3/c1-11(22-14-5-3-2-4-13(14)16)9-18-15(20)19-6-7-21-12(8-17)10-19/h2-5,11-12H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyNHGVJUCQKZHGQG-UHFFFAOYSA-N
XLogP2.15
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
CID 139013682
4-[(2-cyanomorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80541016
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
N-[2-(2-bromophenoxy)propyl]pyrrolidine-3-carboxamide
CID 119804722
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
CID 79663625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide?
The IUPAC name of N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide (CID 136512597) is N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide is CC(CNC(=O)N1CCOC(C#N)C1)Oc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide?
The InChIKey is NHGVJUCQKZHGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-11(22-14-5-3-2-4-13(14)16)9-18-15(20)19-6-7-21-12(8-17)10-19/h2-5,11-12H,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide?
N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)propyl]-2-cyanomorpholine-4-carboxamide is sourced from PubChem (CID 136512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).