N'-(1-adamantyl)-N-methylheptanediamide

C18H30N2O2 — CID 90206132

IUPACN'-(1-adamantyl)-N-methylheptanediamide
SMILESCNC(=O)CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-19-16(21)5-3-2-4-6-17(22)20-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyHMRAXKOJIBJJIY-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.77
Rot. Bonds7

About N'-(1-adamantyl)-N-methylheptanediamide

N'-(1-adamantyl)-N-methylheptanediamide (PubChem CID 90206132) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-methylheptanediamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-methylheptanediamide
PubChem CID90206132
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN'-(1-adamantyl)-N-methylheptanediamide
SMILESCNC(=O)CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O2/c1-19-16(21)5-3-2-4-6-17(22)20-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyHMRAXKOJIBJJIY-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N,N'-dimethylheptanediamide
CID 15166696
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3848841
N'-[3-(1-adamantylamino)-3-oxopropyl]-N-[3-(dimethylamino)propyl]butanediamide
CID 23252450
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-methylheptanediamide?
The IUPAC name of N'-(1-adamantyl)-N-methylheptanediamide (CID 90206132) is N'-(1-adamantyl)-N-methylheptanediamide.
What is the SMILES notation for N'-(1-adamantyl)-N-methylheptanediamide?
The canonical SMILES for N'-(1-adamantyl)-N-methylheptanediamide is CNC(=O)CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-methylheptanediamide?
The InChIKey is HMRAXKOJIBJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-16(21)5-3-2-4-6-17(22)20-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,2-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(1-adamantyl)-N-methylheptanediamide?
N'-(1-adamantyl)-N-methylheptanediamide has a molecular weight of 306.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-methylheptanediamide is sourced from PubChem (CID 90206132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).