N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

C21H35N3O3 — CID 108509047

IUPACN'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-15(21-12-16-9-17(13-21)11-18(10-16)14-21)23-20(26)19(25)22-3-2-4-24-5-7-27-8-6-24/h15-18H,2-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyAQFVHCKAXWUDIV-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.55
Rot. Bonds6

About N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108509047) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108509047
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(NC(=O)C(=O)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-15(21-12-16-9-17(13-21)11-18(10-16)14-21)23-20(26)19(25)22-3-2-4-24-5-7-27-8-6-24/h15-18H,2-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyAQFVHCKAXWUDIV-UHFFFAOYSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
4-(1-adamantyl)-N-[(2R)-3-methyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]benzamide
CID 92654587
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277
1-[1-(1-adamantyl)ethyl]-3-morpholin-4-ylthiourea
CID 5105624
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 108509047) is N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide is CC(NC(=O)C(=O)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is AQFVHCKAXWUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-15(21-12-16-9-17(13-21)11-18(10-16)14-21)23-20(26)19(25)22-3-2-4-24-5-7-27-8-6-24/h15-18H,2-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 377.53 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108509047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).