1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide

C14H22N2O2 — CID 103752016

IUPAC1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCCOCC2CC2)C1
InChIInChI=1S/C14H22N2O2/c1-11-7-14(8-11,10-15)13(17)16-5-2-6-18-9-12-3-4-12/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyYKPCEKVFHXRMBH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds7

About 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide

1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 103752016) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
PubChem CID103752016
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCCOCC2CC2)C1
InChIInChI=1S/C14H22N2O2/c1-11-7-14(8-11,10-15)13(17)16-5-2-6-18-9-12-3-4-12/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyYKPCEKVFHXRMBH-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide (CID 103752016) is 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCCOCC2CC2)C1.
What is the InChIKey of 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is YKPCEKVFHXRMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-7-14(8-11,10-15)13(17)16-5-2-6-18-9-12-3-4-12/h11-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 103752016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).