ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate

C19H28N2O4 — CID 66674826

IUPACethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1C(OC)Cc2ccc(C(N)=O)cc2C1(C)C
InChIInChI=1S/C19H28N2O4/c1-5-25-16(22)8-9-21-17-15(24-4)11-12-6-7-13(18(20)23)10-14(12)19(17,2)3/h6-7,10,15,17,21H,5,8-9,11H2,1-4H3,(H2,20,23)
InChIKeyFIEFDNIMCPXYBX-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.55
Rot. Bonds7

About ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate

ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate (PubChem CID 66674826) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate
PubChem CID66674826
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate
SMILESCCOC(=O)CCNC1C(OC)Cc2ccc(C(N)=O)cc2C1(C)C
InChIInChI=1S/C19H28N2O4/c1-5-25-16(22)8-9-21-17-15(24-4)11-12-6-7-13(18(20)23)10-14(12)19(17,2)3/h6-7,10,15,17,21H,5,8-9,11H2,1-4H3,(H2,20,23)
InChIKeyFIEFDNIMCPXYBX-UHFFFAOYSA-N
XLogP1.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate (CID 66674826) is ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate is CCOC(=O)CCNC1C(OC)Cc2ccc(C(N)=O)cc2C1(C)C.
What is the InChIKey of ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate?
The InChIKey is FIEFDNIMCPXYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-25-16(22)8-9-21-17-15(24-4)11-12-6-7-13(18(20)23)10-14(12)19(17,2)3/h6-7,10,15,17,21H,5,8-9,11H2,1-4H3,(H2,20,23).
What are the key properties of ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate?
ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate has a molecular weight of 348.44 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7-carbamoyl-3-methoxy-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)amino]propanoate is sourced from PubChem (CID 66674826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).