N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide

C24H46N2O — CID 123699210

IUPACN-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
SMILES[H]/N=C(\C)CCCCCCC=CCCCCN(C(=O)CCCCCC)C(C)C
InChIInChI=1S/C24H46N2O/c1-5-6-7-17-20-24(27)26(22(2)3)21-18-15-13-11-9-8-10-12-14-16-19-23(4)25/h9,11,22,25H,5-8,10,12-21H2,1-4H3/b11-9?,25-23+
InChIKeyAGTAPQQNALCNJJ-GIRKSRRCSA-N
MW378.65 g/mol
LogP7.30
Rot. Bonds18

About N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide

N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide (PubChem CID 123699210) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
PubChem CID123699210
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC NameN-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
SMILES[H]/N=C(\C)CCCCCCC=CCCCCN(C(=O)CCCCCC)C(C)C
InChIInChI=1S/C24H46N2O/c1-5-6-7-17-20-24(27)26(22(2)3)21-18-15-13-11-9-8-10-12-14-16-19-23(4)25/h9,11,22,25H,5-8,10,12-21H2,1-4H3/b11-9?,25-23+
InChIKeyAGTAPQQNALCNJJ-GIRKSRRCSA-N
XLogP7.30
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-13-[heptanoyl(propan-2-yl)amino]tridec-8-enoyl]amino]acetic acid
CID 66556285
N-(13-amino-13-hydroxyiminotridec-5-enyl)-N-propan-2-ylheptanamide
CID 123690894
14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide
CID 75984794
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
(2S)-2-[2-carboxyethyl(octadec-9-enoyl)amino]propanoic acid
CID 54276023
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
N-pentyl-N-propan-2-ylethanimidamide
CID 63173308
4-[[(Z)-docos-13-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284668
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085

Frequently Asked Questions

What is the IUPAC name of N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide?
The IUPAC name of N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide (CID 123699210) is N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide.
What is the SMILES notation for N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide?
The canonical SMILES for N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide is [H]/N=C(\C)CCCCCCC=CCCCCN(C(=O)CCCCCC)C(C)C.
What is the InChIKey of N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide?
The InChIKey is AGTAPQQNALCNJJ-GIRKSRRCSA-N. The full InChI is InChI=1S/C24H46N2O/c1-5-6-7-17-20-24(27)26(22(2)3)21-18-15-13-11-9-8-10-12-14-16-19-23(4)25/h9,11,22,25H,5-8,10,12-21H2,1-4H3/b11-9?,25-23+.
What are the key properties of N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide?
N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide has a molecular weight of 378.65 g/mol, XLogP of 7.30, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide is sourced from PubChem (CID 123699210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).