4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide

C14H27N3O3 — CID 120594227

IUPAC4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(CC(N)=O)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-20-11(9-15)7-14(19)17-12(8-13(16)18)10-5-3-2-4-6-10/h10-12H,2-9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyIRNHMWIJMDTHQG-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.29
Rot. Bonds8

About 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide

4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide (PubChem CID 120594227) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
PubChem CID120594227
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(CC(N)=O)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-20-11(9-15)7-14(19)17-12(8-13(16)18)10-5-3-2-4-6-10/h10-12H,2-9,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyIRNHMWIJMDTHQG-UHFFFAOYSA-N
XLogP0.29
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Rel-(9AR,13AS)-1-(3-methoxypropanoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201207
Tetradecahydro-5,1,8-benzoxadiazacycloundecan-9-one
CID 110202331
4-amino-3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 103154794
4-amino-3-methoxy-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 103154821
4-amino-3-methoxy-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 103154823
3-Cyclohexyl-3-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71865121
N-(2-methoxyethyl)-3-(methylamino)cyclohexane-1-carboxamide
CID 91169210
(3R,5S)-4-acetamido-3-methoxy-5-methylheptanamide
CID 139469984
N-[(2S)-5-amino-4-methoxy-5-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 141010119
(3R,4S,5S)-3-methoxy-N,5-dimethyl-4-[methyl(3-methylbutanoyl)amino]heptanamide
CID 166851130
2-methyl-N-[3-oxo-3-[2-[3-oxo-3-[(4-propanoylcyclohexyl)amino]propoxy]ethylamino]propyl]propanamide;molecular hydrogen
CID 167464278
3-(3-Hydroxybutanoylamino)cyclohexane-1-carboxamide
CID 168729925

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide (CID 120594227) is 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide is COC(CN)CC(=O)NC(CC(N)=O)C1CCCCC1.
What is the InChIKey of 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide?
The InChIKey is IRNHMWIJMDTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-20-11(9-15)7-14(19)17-12(8-13(16)18)10-5-3-2-4-6-10/h10-12H,2-9,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide?
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide has a molecular weight of 285.39 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide is sourced from PubChem (CID 120594227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).