(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

C19H25NO — CID 46935069

IUPAC(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCC(C)N(C(=O)/C=C/C1=Cc2ccccc2CC1)C(C)C
InChIInChI=1S/C19H25NO/c1-14(2)20(15(3)4)19(21)12-10-16-9-11-17-7-5-6-8-18(17)13-16/h5-8,10,12-15H,9,11H2,1-4H3/b12-10+
InChIKeyCTTVQLVQWWLFSV-ZRDIBKRKSA-N
MW283.42 g/mol
LogP4.22
Rot. Bonds4

About (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 46935069) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
PubChem CID46935069
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCC(C)N(C(=O)/C=C/C1=Cc2ccccc2CC1)C(C)C
InChIInChI=1S/C19H25NO/c1-14(2)20(15(3)4)19(21)12-10-16-9-11-17-7-5-6-8-18(17)13-16/h5-8,10,12-15H,9,11H2,1-4H3/b12-10+
InChIKeyCTTVQLVQWWLFSV-ZRDIBKRKSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (CID 46935069) is (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is CC(C)N(C(=O)/C=C/C1=Cc2ccccc2CC1)C(C)C.
What is the InChIKey of (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is CTTVQLVQWWLFSV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)20(15(3)4)19(21)12-10-16-9-11-17-7-5-6-8-18(17)13-16/h5-8,10,12-15H,9,11H2,1-4H3/b12-10+.
What are the key properties of (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
(E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 283.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 46935069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).