3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C25H31NO — CID 42696857

IUPAC3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(C)(C)CC(=O)N(C/C=C/c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C25H31NO/c1-25(2,3)19-24(27)26(18-10-13-20-11-5-4-6-12-20)23-17-9-15-21-14-7-8-16-22(21)23/h4-8,10-14,16,23H,9,15,17-19H2,1-3H3/b13-10+
InChIKeyRPRUIHFYNFIEDQ-JLHYYAGUSA-N
MW361.53 g/mol
LogP6.04
Rot. Bonds5

About 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 42696857) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID42696857
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(C)(C)CC(=O)N(C/C=C/c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C25H31NO/c1-25(2,3)19-24(27)26(18-10-13-20-11-5-4-6-12-20)23-17-9-15-21-14-7-8-16-22(21)23/h4-8,10-14,16,23H,9,15,17-19H2,1-3H3/b13-10+
InChIKeyRPRUIHFYNFIEDQ-JLHYYAGUSA-N
XLogP6.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 42696857) is 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is CC(C)(C)CC(=O)N(C/C=C/c1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is RPRUIHFYNFIEDQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H31NO/c1-25(2,3)19-24(27)26(18-10-13-20-11-5-4-6-12-20)23-17-9-15-21-14-7-8-16-22(21)23/h4-8,10-14,16,23H,9,15,17-19H2,1-3H3/b13-10+.
What are the key properties of 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 361.53 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 42696857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).