ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate

C16H24N2O2 — CID 103232573

IUPACethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
SMILESC=C(CNCCCN(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)14(2)13-17-11-8-12-18(3)15-9-6-5-7-10-15/h5-7,9-10,17H,2,4,8,11-13H2,1,3H3
InChIKeyKVJFTSRVMOOGNM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.22
Rot. Bonds9

About ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate

ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate (PubChem CID 103232573) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
PubChem CID103232573
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
SMILESC=C(CNCCCN(C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)14(2)13-17-11-8-12-18(3)15-9-6-5-7-10-15/h5-7,9-10,17H,2,4,8,11-13H2,1,3H3
InChIKeyKVJFTSRVMOOGNM-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
CID 103234136
ethyl 2-[[4-(dimethylamino)butylamino]methyl]prop-2-enoate
CID 103244790
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 28573424
ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
ethyl 4-[N'-methyl-N-[3-(N-methylanilino)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163448
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate (CID 103232573) is ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate is C=C(CNCCCN(C)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate?
The InChIKey is KVJFTSRVMOOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-16(19)14(2)13-17-11-8-12-18(3)15-9-6-5-7-10-15/h5-7,9-10,17H,2,4,8,11-13H2,1,3H3.
What are the key properties of ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate?
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate has a molecular weight of 276.38 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103232573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).