9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide

C14H25N3O2 — CID 120983832

IUPAC9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCNC(=O)CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C14H25N3O2/c1-2-16-12(18)8-17-14(19)11-6-9-4-3-5-10(7-11)13(9)15/h9-11,13H,2-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyIULWOXJTTCIBEG-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.39
Rot. Bonds4

About 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120983832) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120983832
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCNC(=O)CNC(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C14H25N3O2/c1-2-16-12(18)8-17-14(19)11-6-9-4-3-5-10(7-11)13(9)15/h9-11,13H,2-8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyIULWOXJTTCIBEG-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120983832) is 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide is CCNC(=O)CNC(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is IULWOXJTTCIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-16-12(18)8-17-14(19)11-6-9-4-3-5-10(7-11)13(9)15/h9-11,13H,2-8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120983832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).