N-dodecylmorpholine-4-carboxamide

C17H34N2O2 — CID 3064262

IUPACN-dodecylmorpholine-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-17(20)19-13-15-21-16-14-19/h2-16H2,1H3,(H,18,20)
InChIKeyIULTVCIFEQUZKK-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.95
Rot. Bonds11

About N-dodecylmorpholine-4-carboxamide

N-dodecylmorpholine-4-carboxamide (PubChem CID 3064262) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-dodecylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-dodecylmorpholine-4-carboxamide
PubChem CID3064262
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-dodecylmorpholine-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-17(20)19-13-15-21-16-14-19/h2-16H2,1H3,(H,18,20)
InChIKeyIULTVCIFEQUZKK-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

MF268
CID 5288799
4-(N-(Cyclohexyl)carbamoyl)morpholine
CID 853662
N,N'-Hexamethylenebis(4-carbamoylmorpholine)
CID 3525281
N,N-Bis(2-hydroxyethyl)-N'-stearylurea
CID 169821
N-(2-methoxyethyl)-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 72018405
N-cycloheptylmorpholine-4-carboxamide
CID 669639
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(4-methylpentyl)morpholine-4-carboxamide
CID 52577078
3-Hexadecyl-1,1-bis(2-hydroxyethyl)urea
CID 3020502
4-methoxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 145915642
(2S)-N-(2-methoxyethyl)-2-methylpiperidine-1-carboxamide
CID 41256086
(3S)-N-cyclohexyl-3-methylmorpholine-4-carboxamide
CID 93629551

Frequently Asked Questions

What is the IUPAC name of N-dodecylmorpholine-4-carboxamide?
The IUPAC name of N-dodecylmorpholine-4-carboxamide (CID 3064262) is N-dodecylmorpholine-4-carboxamide.
What is the SMILES notation for N-dodecylmorpholine-4-carboxamide?
The canonical SMILES for N-dodecylmorpholine-4-carboxamide is CCCCCCCCCCCCNC(=O)N1CCOCC1.
What is the InChIKey of N-dodecylmorpholine-4-carboxamide?
The InChIKey is IULTVCIFEQUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-17(20)19-13-15-21-16-14-19/h2-16H2,1H3,(H,18,20).
What are the key properties of N-dodecylmorpholine-4-carboxamide?
N-dodecylmorpholine-4-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylmorpholine-4-carboxamide is sourced from PubChem (CID 3064262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).