3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide

C15H29N3O2 — CID 62781908

IUPAC3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCC(N)C1C
InChIInChI=1S/C15H29N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h10-13H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOBZDQLXTUGWMGK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.17
Rot. Bonds6

About 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide

3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 62781908) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
PubChem CID62781908
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)C1CCCC(N)C1C
InChIInChI=1S/C15H29N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h10-13H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyOBZDQLXTUGWMGK-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978487
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113410032
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide (CID 62781908) is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide is CCC(C)NC(=O)CCNC(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is OBZDQLXTUGWMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h10-13H,4-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide?
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).