3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide

C14H27N3O2 — CID 106276956

IUPAC3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-13(2,12(19)16-3)10-17-11(18)9-14(15)7-5-4-6-8-14/h4-10,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyLZQJNFNEAODUCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.93
Rot. Bonds5

About 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide

3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106276956) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106276956
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-13(2,12(19)16-3)10-17-11(18)9-14(15)7-5-4-6-8-14/h4-10,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyLZQJNFNEAODUCR-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2582372
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CID 4144742
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CID 13697510
1-amino-N-butylcyclohexane-1-carboxamide
CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
Rel-(9AR,13AS)-1-isobutyryltetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201226
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
n-Isopropylcyclohexanecarboxamide
CID 232390
N-butyl-3-cyclohexylpropanamide
CID 1756824
1-amino-N-ethylcyclohexane-1-carboxamide hydrochloride
CID 42948598
(1S,11R)-2-(3-methylbutanoyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201195

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide (CID 106276956) is 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is LZQJNFNEAODUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2,12(19)16-3)10-17-11(18)9-14(15)7-5-4-6-8-14/h4-10,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclohexyl)acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).