N-[(Z)-nonadec-10-enyl]prop-2-enamide

C22H41NO — CID 87771405

IUPACN-[(Z)-nonadec-10-enyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,23,24)/b12-11-
InChIKeyWBGYWEGOPDMHJB-QXMHVHEDSA-N
MW335.58 g/mol
LogP6.72
Rot. Bonds18

About N-[(Z)-nonadec-10-enyl]prop-2-enamide

N-[(Z)-nonadec-10-enyl]prop-2-enamide (PubChem CID 87771405) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is N-[(Z)-nonadec-10-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(Z)-nonadec-10-enyl]prop-2-enamide
PubChem CID87771405
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC NameN-[(Z)-nonadec-10-enyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,23,24)/b12-11-
InChIKeyWBGYWEGOPDMHJB-QXMHVHEDSA-N
XLogP6.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(E)-N-butyldec-2-enamide
CID 160628271
N-tetradecyloctadec-9-enamide
CID 90860718

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-nonadec-10-enyl]prop-2-enamide?
The IUPAC name of N-[(Z)-nonadec-10-enyl]prop-2-enamide (CID 87771405) is N-[(Z)-nonadec-10-enyl]prop-2-enamide.
What is the SMILES notation for N-[(Z)-nonadec-10-enyl]prop-2-enamide?
The canonical SMILES for N-[(Z)-nonadec-10-enyl]prop-2-enamide is C=CC(=O)NCCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of N-[(Z)-nonadec-10-enyl]prop-2-enamide?
The InChIKey is WBGYWEGOPDMHJB-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)4-2/h4,11-12H,2-3,5-10,13-21H2,1H3,(H,23,24)/b12-11-.
What are the key properties of N-[(Z)-nonadec-10-enyl]prop-2-enamide?
N-[(Z)-nonadec-10-enyl]prop-2-enamide has a molecular weight of 335.58 g/mol, XLogP of 6.72, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-nonadec-10-enyl]prop-2-enamide is sourced from PubChem (CID 87771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).