3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide

C15H29N3O2 — CID 62781746

IUPAC3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H29N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHJQOYVWBVBQKRU-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds7

About 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide

3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide (PubChem CID 62781746) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
PubChem CID62781746
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H29N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHJQOYVWBVBQKRU-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide
CID 62781706
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
3-[(2-piperidin-4-ylacetyl)amino]-N-propan-2-ylpropanamide
CID 113266104
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide (CID 62781746) is 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC(=O)CC1CCC(N)CC1.
What is the InChIKey of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is HJQOYVWBVBQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-11(2)18-14(19)8-9-17-15(20)10-12-4-6-13(16)7-5-12/h11-13H,3-10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide?
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 62781746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).