2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid

C14H20N2O4 — CID 62329042

IUPAC2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCCOc1ccc(NC(=O)N(CC)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-9-20-12-7-5-11(6-8-12)15-14(19)16(4-2)10-13(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCKRPNBIEZIRBBJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.41
Rot. Bonds7

About 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid

2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 62329042) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
PubChem CID62329042
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
SMILESCCCOc1ccc(NC(=O)N(CC)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-9-20-12-7-5-11(6-8-12)15-14(19)16(4-2)10-13(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyCKRPNBIEZIRBBJ-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
CID 62327824
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
2-(4-propoxyanilino)acetic acid
CID 15310375
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid (CID 62329042) is 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid is CCCOc1ccc(NC(=O)N(CC)CC(=O)O)cc1.
What is the InChIKey of 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is CKRPNBIEZIRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-9-20-12-7-5-11(6-8-12)15-14(19)16(4-2)10-13(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62329042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).