N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide

C14H19NO — CID 10703999

IUPACN,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide
SMILESCC(C)CC(=O)N(C)/C=C\c1ccccc1
InChIInChI=1S/C14H19NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9-
InChIKeyCDLAPNQPBIKXOF-KTKRTIGZSA-N
MW217.31 g/mol
LogP3.16
Rot. Bonds4

About N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide

N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide (PubChem CID 10703999) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide
PubChem CID10703999
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide
SMILESCC(C)CC(=O)N(C)/C=C\c1ccccc1
InChIInChI=1S/C14H19NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9-
InChIKeyCDLAPNQPBIKXOF-KTKRTIGZSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide (CID 10703999) is N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide is CC(C)CC(=O)N(C)/C=C\c1ccccc1.
What is the InChIKey of N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide?
The InChIKey is CDLAPNQPBIKXOF-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9-.
What are the key properties of N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide?
N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide has a molecular weight of 217.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide is sourced from PubChem (CID 10703999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).