2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C19H33N3O3 — CID 87014138

IUPAC2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CN(CC1CCOC1)C1CC1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H33N3O3/c23-18(14-22(17-6-7-17)13-16-8-12-25-15-16)20-9-4-11-21-10-3-1-2-5-19(21)24/h16-17H,1-15H2,(H,20,23)
InChIKeySTKFRXFKAGFCTF-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.40
Rot. Bonds9

About 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 87014138) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID87014138
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CN(CC1CCOC1)C1CC1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H33N3O3/c23-18(14-22(17-6-7-17)13-16-8-12-25-15-16)20-9-4-11-21-10-3-1-2-5-19(21)24/h16-17H,1-15H2,(H,20,23)
InChIKeySTKFRXFKAGFCTF-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 125448347
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014913
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86911651
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea
CID 75370731
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 109385676
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-cyclopropyl-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 51080751
N-(cyclopropylmethyl)-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]piperidine-3-carboxamide
CID 87014329

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 87014138) is 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is O=C(CN(CC1CCOC1)C1CC1)NCCCN1CCCCCC1=O.
What is the InChIKey of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is STKFRXFKAGFCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c23-18(14-22(17-6-7-17)13-16-8-12-25-15-16)20-9-4-11-21-10-3-1-2-5-19(21)24/h16-17H,1-15H2,(H,20,23).
What are the key properties of 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 87014138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).