N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide

C12H17N3O3 — CID 43279890

IUPACN-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1cccc(OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O3/c1-8(14-2)9-4-3-5-10(6-9)18-7-11(16)15-12(13)17/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyUQVIDWPZQGJGRF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.54
Rot. Bonds5

About N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide

N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide (PubChem CID 43279890) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
PubChem CID43279890
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1cccc(OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H17N3O3/c1-8(14-2)9-4-3-5-10(6-9)18-7-11(16)15-12(13)17/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyUQVIDWPZQGJGRF-UHFFFAOYSA-N
XLogP0.54
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436816
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63064124

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide (CID 43279890) is N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide is CNC(C)c1cccc(OCC(=O)NC(N)=O)c1.
What is the InChIKey of N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide?
The InChIKey is UQVIDWPZQGJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(14-2)9-4-3-5-10(6-9)18-7-11(16)15-12(13)17/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide?
N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 43279890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).