N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide

C14H25NO3 — CID 111661278

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H25NO3/c1-10(2)6-7-18-11(3)14(17)15-13-5-4-12(8-13)9-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,15,17)/t11?,12-,13+/m0/s1
InChIKeySJNBOGQDJACSAY-LWNNLKQOSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds7

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide (PubChem CID 111661278) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide
PubChem CID111661278
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H25NO3/c1-10(2)6-7-18-11(3)14(17)15-13-5-4-12(8-13)9-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,15,17)/t11?,12-,13+/m0/s1
InChIKeySJNBOGQDJACSAY-LWNNLKQOSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
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 N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide (CID 111661278) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide is CC(C)CCOC(C)C(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide?
The InChIKey is SJNBOGQDJACSAY-LWNNLKQOSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)6-7-18-11(3)14(17)15-13-5-4-12(8-13)9-16/h4-5,10-13,16H,6-9H2,1-3H3,(H,15,17)/t11?,12-,13+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 111661278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).