[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane

C17H26N2O5 — CID 159713200

IUPAC[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane
SMILESC.CCNC(=O)Cc1ccc(COC(=O)CCNC(=O)OC)cc1
InChIInChI=1S/C16H22N2O5.CH4/c1-3-17-14(19)10-12-4-6-13(7-5-12)11-23-15(20)8-9-18-16(21)22-2;/h4-7H,3,8-11H2,1-2H3,(H,17,19)(H,18,21);1H4
InChIKeyMZCGRAAUXVEEMU-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.79
Rot. Bonds8

About [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane

[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane (PubChem CID 159713200) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane.

Molecular Properties

Compound Name[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane
PubChem CID159713200
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane
SMILESC.CCNC(=O)Cc1ccc(COC(=O)CCNC(=O)OC)cc1
InChIInChI=1S/C16H22N2O5.CH4/c1-3-17-14(19)10-12-4-6-13(7-5-12)11-23-15(20)8-9-18-16(21)22-2;/h4-7H,3,8-11H2,1-2H3,(H,17,19)(H,18,21);1H4
InChIKeyMZCGRAAUXVEEMU-UHFFFAOYSA-N
XLogP1.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cyclononylmethylamino)-2-oxoethyl]phenyl]methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 142089370
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
CID 142183434
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
benzyl 3-aminopropanoate;benzyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate;3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158050114
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356
(3-chlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734116

Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane?
The IUPAC name of [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane (CID 159713200) is [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane.
What is the SMILES notation for [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane?
The canonical SMILES for [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane is C.CCNC(=O)Cc1ccc(COC(=O)CCNC(=O)OC)cc1.
What is the InChIKey of [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane?
The InChIKey is MZCGRAAUXVEEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5.CH4/c1-3-17-14(19)10-12-4-6-13(7-5-12)11-23-15(20)8-9-18-16(21)22-2;/h4-7H,3,8-11H2,1-2H3,(H,17,19)(H,18,21);1H4.
What are the key properties of [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane?
[4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane has a molecular weight of 338.40 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-2-oxoethyl]phenyl]methyl 3-(methoxycarbonylamino)propanoate;methane is sourced from PubChem (CID 159713200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).