4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide

C16H29NO — CID 88886586

IUPAC4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H29NO/c1-8-10-17(11-9-2)15(18)14(13(3)4)12-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeyAUTAGBHHTZSZKC-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.90
Rot. Bonds7

About 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide

4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide (PubChem CID 88886586) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide
PubChem CID88886586
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H29NO/c1-8-10-17(11-9-2)15(18)14(13(3)4)12-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeyAUTAGBHHTZSZKC-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide?
The IUPAC name of 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide (CID 88886586) is 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide is C=CCN(CC=C)C(=O)C(CC(C)(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide?
The InChIKey is AUTAGBHHTZSZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-8-10-17(11-9-2)15(18)14(13(3)4)12-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3.
What are the key properties of 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide?
4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide has a molecular weight of 251.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yl-N,N-bis(prop-2-enyl)pentanamide is sourced from PubChem (CID 88886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).