N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide

C12H22N2O3 — CID 154751009

IUPACN-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide
SMILESCOCC(NC(=O)N1CCCOCC1)C1CC1
InChIInChI=1S/C12H22N2O3/c1-16-9-11(10-3-4-10)13-12(15)14-5-2-7-17-8-6-14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNZIYZZQPWDTUAM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds4

About N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide

N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide (PubChem CID 154751009) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide
PubChem CID154751009
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide
SMILESCOCC(NC(=O)N1CCCOCC1)C1CC1
InChIInChI=1S/C12H22N2O3/c1-16-9-11(10-3-4-10)13-12(15)14-5-2-7-17-8-6-14/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyNZIYZZQPWDTUAM-UHFFFAOYSA-N
XLogP0.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-3-hydroxypropyl)morpholine-4-carboxamide
CID 111457879
(2S)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99825232
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124568296
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(2-amino-1-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 79161120
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide (CID 154751009) is N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide is COCC(NC(=O)N1CCCOCC1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is NZIYZZQPWDTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-9-11(10-3-4-10)13-12(15)14-5-2-7-17-8-6-14/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide?
N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 154751009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).