2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

C14H21N3O4 — CID 82000761

IUPAC2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1C(C)N
InChIInChI=1S/C14H21N3O4/c1-8(15)11-6-5-10(20-4)7-12(11)21-9(2)13(18)17-14(19)16-3/h5-9H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyCNKAGJFAJZQQRX-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide

2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 82000761) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID82000761
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1C(C)N
InChIInChI=1S/C14H21N3O4/c1-8(15)11-6-5-10(20-4)7-12(11)21-9(2)13(18)17-14(19)16-3/h5-9H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyCNKAGJFAJZQQRX-UHFFFAOYSA-N
XLogP0.94
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
CID 83035515
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952307
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide (CID 82000761) is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1cc(OC)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is CNKAGJFAJZQQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8(15)11-6-5-10(20-4)7-12(11)21-9(2)13(18)17-14(19)16-3/h5-9H,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide?
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 82000761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).