N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

C14H21N3O3 — CID 18083553

IUPACN-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCOc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-11(13(18)16-14(19)15-2)17(3)9-10-20-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyHXRYPMZCOTZQNF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.84
Rot. Bonds6

About N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (PubChem CID 18083553) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
PubChem CID18083553
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCOc1ccccc1
InChIInChI=1S/C14H21N3O3/c1-11(13(18)16-14(19)15-2)17(3)9-10-20-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyHXRYPMZCOTZQNF-UHFFFAOYSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (CID 18083553) is N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is CNC(=O)NC(=O)C(C)N(C)CCOc1ccccc1.
What is the InChIKey of N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The InChIKey is HXRYPMZCOTZQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(13(18)16-14(19)15-2)17(3)9-10-20-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18,19).
What are the key properties of N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is sourced from PubChem (CID 18083553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).