3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane

C40H75N5O4 — CID 143360890

About 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane

3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane (PubChem CID 143360890) has the molecular formula C40H75N5O4 and a molecular weight of 690.07 g/mol. Its IUPAC name is 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane.

Molecular Properties

• Compound Name: 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane
• PubChem CID: 143360890
• Molecular Formula: C40H75N5O4
• Molecular Weight: 690.07 g/mol
• Exact Mass: 689.58
• IUPAC Name: 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane
• SMILES: C=C(C)C1[C@@H]2[C@H](CN1C(=O)CC(N)C1(C)CCCCCC1)C2(C)C.CC.CCC(NC(C)=O)C(C)(C)C.NC(=O)C(=O)C(N)CC1CCC1
• InChI: InChI=1S/C21H36N2O.C9H19NO.C8H14N2O2.C2H6/c1-14(2)19-18-15(20(18,3)4)13-23(19)17(24)12-16(22)21(5)10-8-6-7-9-11-21;1-6-8(9(3,4)5)10-7(2)11;9-6(7(11)8(10)12)4-5-2-1-3-5;1-2/h15-16,18-19H,1,6-13,22H2,2-5H3;8H,6H2,1-5H3,(H,10,11);5-6H,1-4,9H2,(H2,10,12);1-2H3/t15-,16?,18-,19?;;;/m0.../s1
• InChIKey: XMQPZWPQIPTTDC-RYDUNIQKSA-N
• XLogP: 6.66
• TPSA: 161.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.07
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane?

The IUPAC name of 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane (CID 143360890) is 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane.

What is the SMILES notation for 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane?

The canonical SMILES for 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane is C=C(C)C1[C@@H]2[C@H](CN1C(=O)CC(N)C1(C)CCCCCC1)C2(C)C.CC.CCC(NC(C)=O)C(C)(C)C.NC(=O)C(=O)C(N)CC1CCC1.

What is the InChIKey of 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane?

The InChIKey is XMQPZWPQIPTTDC-RYDUNIQKSA-N. The full InChI is InChI=1S/C21H36N2O.C9H19NO.C8H14N2O2.C2H6/c1-14(2)19-18-15(20(18,3)4)13-23(19)17(24)12-16(22)21(5)10-8-6-7-9-11-21;1-6-8(9(3,4)5)10-7(2)11;9-6(7(11)8(10)12)4-5-2-1-3-5;1-2/h15-16,18-19H,1,6-13,22H2,2-5H3;8H,6H2,1-5H3,(H,10,11);5-6H,1-4,9H2,(H2,10,12);1-2H3/t15-,16?,18-,19?;;;/m0.../s1.

What are the key properties of 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane?

3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane has a molecular weight of 690.07 g/mol, XLogP of 6.66, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane is sourced from PubChem (CID 143360890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).