N-(2-oxoazepan-4-yl)undec-10-enamide

C17H30N2O2 — CID 19090462

IUPACN-(2-oxoazepan-4-yl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NC1CCCNC(=O)C1
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-12-16(20)19-15-11-10-13-18-17(21)14-15/h2,15H,1,3-14H2,(H,18,21)(H,19,20)
InChIKeyXVRHVQBAYMLJCM-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.08
Rot. Bonds10

About N-(2-oxoazepan-4-yl)undec-10-enamide

N-(2-oxoazepan-4-yl)undec-10-enamide (PubChem CID 19090462) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(2-oxoazepan-4-yl)undec-10-enamide.

Molecular Properties

Compound NameN-(2-oxoazepan-4-yl)undec-10-enamide
PubChem CID19090462
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(2-oxoazepan-4-yl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NC1CCCNC(=O)C1
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-12-16(20)19-15-11-10-13-18-17(21)14-15/h2,15H,1,3-14H2,(H,18,21)(H,19,20)
InChIKeyXVRHVQBAYMLJCM-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]undec-10-enamide
CID 11197173
8-Heptadec-13-enyl-1,5,9,13-tetrazacycloheptadecan-6-one
CID 85285007
(8R)-8-heptadec-13-enyl-1,5,9,13-tetrazacycloheptadecan-6-one
CID 162887399
(8S)-8-[(E)-heptadec-13-enyl]-1,5,9,13-tetrazacycloheptadecan-6-one
CID 162887400
(8R)-8-[(E)-pentadec-11-enyl]-1,5,9,13-tetrazacycloheptadecan-6-one
CID 162920733
(8R)-8-[(Z)-pentadec-11-enyl]-1,5,9,13-tetrazacycloheptadecan-6-one
CID 162920735
(8R)-8-[(E)-heptadec-13-enyl]-1,5,9,13-tetrazacycloheptadecan-6-one
CID 163194890
epsilon-Vinylcaprolactam
CID 18800741
N-(2,6-dioxopiperidin-4-yl)undec-10-enamide
CID 66893961
N,Na(2)-1,6-Hexanediylbis[10-undecenamide]
CID 18424776
N-hept-6-enylnon-8-enamide
CID 129776482
N-Hex-5-enyldodecanediamide
CID 113524

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-4-yl)undec-10-enamide?
The IUPAC name of N-(2-oxoazepan-4-yl)undec-10-enamide (CID 19090462) is N-(2-oxoazepan-4-yl)undec-10-enamide.
What is the SMILES notation for N-(2-oxoazepan-4-yl)undec-10-enamide?
The canonical SMILES for N-(2-oxoazepan-4-yl)undec-10-enamide is C=CCCCCCCCCC(=O)NC1CCCNC(=O)C1.
What is the InChIKey of N-(2-oxoazepan-4-yl)undec-10-enamide?
The InChIKey is XVRHVQBAYMLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-12-16(20)19-15-11-10-13-18-17(21)14-15/h2,15H,1,3-14H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-oxoazepan-4-yl)undec-10-enamide?
N-(2-oxoazepan-4-yl)undec-10-enamide has a molecular weight of 294.44 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-4-yl)undec-10-enamide is sourced from PubChem (CID 19090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).