2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide

C14H21N3O4 — CID 103565959

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(CN)cc(OC)c1
InChIInChI=1S/C14H21N3O4/c1-4-16-14(19)17-13(18)9(2)21-12-6-10(8-15)5-11(7-12)20-3/h5-7,9H,4,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyMXPQELLMJQXNDS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds6

About 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 103565959) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID103565959
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(CN)cc(OC)c1
InChIInChI=1S/C14H21N3O4/c1-4-16-14(19)17-13(18)9(2)21-12-6-10(8-15)5-11(7-12)20-3/h5-7,9H,4,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyMXPQELLMJQXNDS-UHFFFAOYSA-N
XLogP0.77
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
2-(3-cyano-5-methoxyphenoxy)-N-(ethylcarbamoyl)propanamide
CID 103566927
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 2103321
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide (CID 103565959) is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1cc(CN)cc(OC)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is MXPQELLMJQXNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-16-14(19)17-13(18)9(2)21-12-6-10(8-15)5-11(7-12)20-3/h5-7,9H,4,8,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide?
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 103565959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).