[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate

C14H19NO4 — CID 162728348

IUPAC[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
SMILESCCOC(=O)Nc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-14(17)15-12-7-5-11(6-8-12)9-19-13(16)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyDZXTUFZHSUECGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.95
Rot. Bonds5

About [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate

[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate (PubChem CID 162728348) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
PubChem CID162728348
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
SMILESCCOC(=O)Nc1ccc(COC(=O)C(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-14(17)15-12-7-5-11(6-8-12)9-19-13(16)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyDZXTUFZHSUECGB-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminoethoxycarbonylamino)phenyl]methyl 2-methylpropanoate;ethane;molecular hydrogen
CID 144997523
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate?
The IUPAC name of [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate (CID 162728348) is [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate.
What is the SMILES notation for [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate?
The canonical SMILES for [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate is CCOC(=O)Nc1ccc(COC(=O)C(C)C)cc1.
What is the InChIKey of [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate?
The InChIKey is DZXTUFZHSUECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-14(17)15-12-7-5-11(6-8-12)9-19-13(16)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate?
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 162728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).