N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide

C17H33N3O2 — CID 167244939

IUPACN-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(C/C(N)=C/N)C(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C17H33N3O2/c1-8-15(22)20(7)14(9-13(19)10-18)17(5,6)11-16(3,4)12(2)21/h10,14H,8-9,11,18-19H2,1-7H3/b13-10-
InChIKeyRCFDNZDJOJXDIP-RAXLEYEMSA-N
MW311.47 g/mol
LogP2.40
Rot. Bonds8

About N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide

N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide (PubChem CID 167244939) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide
PubChem CID167244939
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(C/C(N)=C/N)C(C)(C)CC(C)(C)C(C)=O
InChIInChI=1S/C17H33N3O2/c1-8-15(22)20(7)14(9-13(19)10-18)17(5,6)11-16(3,4)12(2)21/h10,14H,8-9,11,18-19H2,1-7H3/b13-10-
InChIKeyRCFDNZDJOJXDIP-RAXLEYEMSA-N
XLogP2.40
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide?
The IUPAC name of N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide (CID 167244939) is N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide is CCC(=O)N(C)C(C/C(N)=C/N)C(C)(C)CC(C)(C)C(C)=O.
What is the InChIKey of N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide?
The InChIKey is RCFDNZDJOJXDIP-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-8-15(22)20(7)14(9-13(19)10-18)17(5,6)11-16(3,4)12(2)21/h10,14H,8-9,11,18-19H2,1-7H3/b13-10-.
What are the key properties of N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide?
N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-diamino-5,5,7,7-tetramethyl-8-oxonon-1-en-4-yl]-N-methylpropanamide is sourced from PubChem (CID 167244939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).