3-(2-adamantylamino)-N-ethylpropanamide

C15H26N2O — CID 113409667

IUPAC3-(2-adamantylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18)
InChIKeyHUXVMOPLFRTHSQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.93
Rot. Bonds5

About 3-(2-adamantylamino)-N-ethylpropanamide

3-(2-adamantylamino)-N-ethylpropanamide (PubChem CID 113409667) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(2-adamantylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-adamantylamino)-N-ethylpropanamide
PubChem CID113409667
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(2-adamantylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18)
InChIKeyHUXVMOPLFRTHSQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyclopropylcyclohexyl)amino]-N-ethylpropanamide
CID 113409677
N-(2-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60853991
N-ethyl-3-[(3-hydroxycyclobutyl)methylamino]propanamide
CID 66005260
2-(2-adamantylamino)-N-methylethanesulfonamide
CID 102676172
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
N-hexyladamantan-2-amine
CID 43406596
2-(2-adamantylamino)-N-(2-methylpropyl)acetamide
CID 115574907
N-(2-adamantyl)-3-(sulfamoylamino)propanamide
CID 134204071
3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
N-(2-adamantyl)-4-hydroxypentanamide
CID 79200321
N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 99611784
2-(2-adamantylamino)acetic acid;hydrochloride
CID 163342547

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylamino)-N-ethylpropanamide?
The IUPAC name of 3-(2-adamantylamino)-N-ethylpropanamide (CID 113409667) is 3-(2-adamantylamino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-adamantylamino)-N-ethylpropanamide?
The canonical SMILES for 3-(2-adamantylamino)-N-ethylpropanamide is CCNC(=O)CCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(2-adamantylamino)-N-ethylpropanamide?
The InChIKey is HUXVMOPLFRTHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-16-14(18)3-4-17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15,17H,2-9H2,1H3,(H,16,18).
What are the key properties of 3-(2-adamantylamino)-N-ethylpropanamide?
3-(2-adamantylamino)-N-ethylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantylamino)-N-ethylpropanamide is sourced from PubChem (CID 113409667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).