methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate

C14H22N2O2 — CID 57083436

IUPACmethyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
SMILESCOC(=O)CCN(CCN(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-15(2)11-12-16(10-9-14(17)18-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyDNQANVMYPRUSDB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds7

About methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate

methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate (PubChem CID 57083436) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate.

Molecular Properties

Compound Namemethyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
PubChem CID57083436
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
SMILESCOC(=O)CCN(CCN(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-15(2)11-12-16(10-9-14(17)18-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyDNQANVMYPRUSDB-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 4-[N-[2-(N-(4-methoxy-4-oxobutanoyl)anilino)ethyl]anilino]-4-oxobutanoate
CID 2858219
methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate
CID 139265210
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
3-[3-chloro-N-[2-(dimethylamino)ethyl]-4-methoxyanilino]propanoic acid
CID 82319809
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359

Frequently Asked Questions

What is the IUPAC name of methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate?
The IUPAC name of methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate (CID 57083436) is methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate.
What is the SMILES notation for methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate?
The canonical SMILES for methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate is COC(=O)CCN(CCN(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate?
The InChIKey is DNQANVMYPRUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(2)11-12-16(10-9-14(17)18-3)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate?
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate has a molecular weight of 250.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate is sourced from PubChem (CID 57083436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).