2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide

C20H29N3O — CID 88980685

IUPAC2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide
SMILESCC(C)C(C)N(CC#N)C(=O)C(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H29N3O/c1-15(2)16(3)23(14-13-21)19(24)18(22)20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-12,14,22H2,1-3H3
InChIKeyZUNYCTWYDGZVME-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.22
Rot. Bonds6

About 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide

2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide (PubChem CID 88980685) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide
PubChem CID88980685
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide
SMILESCC(C)C(C)N(CC#N)C(=O)C(N)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H29N3O/c1-15(2)16(3)23(14-13-21)19(24)18(22)20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-12,14,22H2,1-3H3
InChIKeyZUNYCTWYDGZVME-UHFFFAOYSA-N
XLogP3.22
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide (CID 88980685) is 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide is CC(C)C(C)N(CC#N)C(=O)C(N)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide?
The InChIKey is ZUNYCTWYDGZVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15(2)16(3)23(14-13-21)19(24)18(22)20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-12,14,22H2,1-3H3.
What are the key properties of 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide?
2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-N-(3-methylbutan-2-yl)-2-(1-phenylcyclopentyl)acetamide is sourced from PubChem (CID 88980685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).