N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide

C14H21N3O3 — CID 112998813

IUPACN-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-6-5-7-11(12)17-13(18)9-15-14(19)16-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBIMYYHAKDYQKKK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide

N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 112998813) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID112998813
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCCOc1ccccc1NC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C14H21N3O3/c1-4-20-12-8-6-5-7-11(12)17-13(18)9-15-14(19)16-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBIMYYHAKDYQKKK-UHFFFAOYSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetamide
CID 109005835
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907070
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide (CID 112998813) is N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide is CCOc1ccccc1NC(=O)CNC(=O)NC(C)C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is BIMYYHAKDYQKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-8-6-5-7-11(12)17-13(18)9-15-14(19)16-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 112998813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).