2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide

C23H43N3O — CID 143024021

IUPAC2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide
SMILESC=C(NC(C(=O)N(C)CC=C(C)C)C1CCCC1)C(CC)(CC)NC(C)C
InChIInChI=1S/C23H43N3O/c1-9-23(10-2,25-18(5)6)19(7)24-21(20-13-11-12-14-20)22(27)26(8)16-15-17(3)4/h15,18,20-21,24-25H,7,9-14,16H2,1-6,8H3
InChIKeyXJAUCBRGBIZHQG-UHFFFAOYSA-N
MW377.62 g/mol
LogP4.63
Rot. Bonds11

About 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide

2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide (PubChem CID 143024021) has the molecular formula C23H43N3O and a molecular weight of 377.62 g/mol. Its IUPAC name is 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide
PubChem CID143024021
Molecular FormulaC23H43N3O
Molecular Weight377.62 g/mol
Exact Mass377.34
IUPAC Name2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide
SMILESC=C(NC(C(=O)N(C)CC=C(C)C)C1CCCC1)C(CC)(CC)NC(C)C
InChIInChI=1S/C23H43N3O/c1-9-23(10-2,25-18(5)6)19(7)24-21(20-13-11-12-14-20)22(27)26(8)16-15-17(3)4/h15,18,20-21,24-25H,7,9-14,16H2,1-6,8H3
InChIKeyXJAUCBRGBIZHQG-UHFFFAOYSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide (CID 143024021) is 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide is C=C(NC(C(=O)N(C)CC=C(C)C)C1CCCC1)C(CC)(CC)NC(C)C.
What is the InChIKey of 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is XJAUCBRGBIZHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O/c1-9-23(10-2,25-18(5)6)19(7)24-21(20-13-11-12-14-20)22(27)26(8)16-15-17(3)4/h15,18,20-21,24-25H,7,9-14,16H2,1-6,8H3.
What are the key properties of 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide?
2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 377.62 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[[3-ethyl-3-(propan-2-ylamino)pent-1-en-2-yl]amino]-N-methyl-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 143024021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).