N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide

C18H28N2O3 — CID 129330301

IUPACN-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)C2=COCCC2)CC1
InChIInChI=1S/C18H28N2O3/c1-14(21)20(16-6-2-7-16)17-8-3-10-19(11-9-17)18(22)15-5-4-12-23-13-15/h13,16-17H,2-12H2,1H3/t17-/m0/s1
InChIKeyAKPHZGFYXPQEJU-KRWDZBQOSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds3

About N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide

N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide (PubChem CID 129330301) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide
PubChem CID129330301
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)C2=COCCC2)CC1
InChIInChI=1S/C18H28N2O3/c1-14(21)20(16-6-2-7-16)17-8-3-10-19(11-9-17)18(22)15-5-4-12-23-13-15/h13,16-17H,2-12H2,1H3/t17-/m0/s1
InChIKeyAKPHZGFYXPQEJU-KRWDZBQOSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide?
The IUPAC name of N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide (CID 129330301) is N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide?
The canonical SMILES for N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide is CC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)C2=COCCC2)CC1.
What is the InChIKey of N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide?
The InChIKey is AKPHZGFYXPQEJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(21)20(16-6-2-7-16)17-8-3-10-19(11-9-17)18(22)15-5-4-12-23-13-15/h13,16-17H,2-12H2,1H3/t17-/m0/s1.
What are the key properties of N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide?
N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4S)-1-(3,4-dihydro-2H-pyran-5-carbonyl)azepan-4-yl]acetamide is sourced from PubChem (CID 129330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).