methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate

C14H20N2O4 — CID 61011322

IUPACmethyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O4/c1-4-16(10-9-13(17)20-3)14(18)15-11-7-5-6-8-12(11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKVHNUDUEDMWJPO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.11
Rot. Bonds6

About methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate

methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate (PubChem CID 61011322) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
PubChem CID61011322
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O4/c1-4-16(10-9-13(17)20-3)14(18)15-11-7-5-6-8-12(11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKVHNUDUEDMWJPO-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
N'-ethyl-N-(2-methoxyphenyl)-N'-(2-methylprop-2-enyl)oxamide
CID 91650552
3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61181082
methyl 3-[(3-cyanophenyl)carbamoyl-ethylamino]propanoate
CID 61010490
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate (CID 61011322) is methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)Nc1ccccc1OC.
What is the InChIKey of methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate?
The InChIKey is KVHNUDUEDMWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(10-9-13(17)20-3)14(18)15-11-7-5-6-8-12(11)19-2/h5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate?
methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate has a molecular weight of 280.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 61011322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).