(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide

C20H37NO — CID 130350497

IUPAC(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)[C@H]1CCCC1C1CCCC1
InChIInChI=1S/C20H37NO/c1-16(2)10-5-3-4-8-15-21-20(22)19-14-9-13-18(19)17-11-6-7-12-17/h16-19H,3-15H2,1-2H3,(H,21,22)/t18?,19-/m0/s1
InChIKeyKXRMXDNAUDJLHL-GGYWPGCISA-N
MW307.52 g/mol
LogP5.32
Rot. Bonds9

About (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide

(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide (PubChem CID 130350497) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide
PubChem CID130350497
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)[C@H]1CCCC1C1CCCC1
InChIInChI=1S/C20H37NO/c1-16(2)10-5-3-4-8-15-21-20(22)19-14-9-13-18(19)17-11-6-7-12-17/h16-19H,3-15H2,1-2H3,(H,21,22)/t18?,19-/m0/s1
InChIKeyKXRMXDNAUDJLHL-GGYWPGCISA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide (CID 130350497) is (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide is CC(C)CCCCCCNC(=O)[C@H]1CCCC1C1CCCC1.
What is the InChIKey of (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide?
The InChIKey is KXRMXDNAUDJLHL-GGYWPGCISA-N. The full InChI is InChI=1S/C20H37NO/c1-16(2)10-5-3-4-8-15-21-20(22)19-14-9-13-18(19)17-11-6-7-12-17/h16-19H,3-15H2,1-2H3,(H,21,22)/t18?,19-/m0/s1.
What are the key properties of (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide?
(1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide has a molecular weight of 307.52 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopentyl-N-(7-methyloctyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 130350497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).