2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C14H21N3O3 — CID 43276952

IUPAC2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCNCc1ccc(OC(C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-16-9-11-5-7-12(8-6-11)20-10(2)13(18)17-14(19)15-3/h5-8,10,16H,4,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyWTFDKMHQDFSCHC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds6

About 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 43276952) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID43276952
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCNCc1ccc(OC(C)C(=O)NC(=O)NC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-16-9-11-5-7-12(8-6-11)20-10(2)13(18)17-14(19)15-3/h5-8,10,16H,4,9H2,1-3H3,(H2,15,17,18,19)
InChIKeyWTFDKMHQDFSCHC-UHFFFAOYSA-N
XLogP1.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495453
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43277501
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 43276952) is 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CCNCc1ccc(OC(C)C(=O)NC(=O)NC)cc1.
What is the InChIKey of 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is WTFDKMHQDFSCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-16-9-11-5-7-12(8-6-11)20-10(2)13(18)17-14(19)15-3/h5-8,10,16H,4,9H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43276952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).