(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide

C17H32N2O3 — CID 124620131

IUPAC(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1
InChIInChI=1S/C17H32N2O3/c1-4-12-21-14-6-5-10-19(11-8-14)16(20)18-13-15-7-9-17(2,3)22-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-,15-/m1/s1
InChIKeySZBPVVPTCKEFGF-HUUCEWRRSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds5

About (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide

(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide (PubChem CID 124620131) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide
PubChem CID124620131
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide
SMILESCCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1
InChIInChI=1S/C17H32N2O3/c1-4-12-21-14-6-5-10-19(11-8-14)16(20)18-13-15-7-9-17(2,3)22-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-,15-/m1/s1
InChIKeySZBPVVPTCKEFGF-HUUCEWRRSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide with MolForge

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Related Compounds

N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-9-oxa-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 124620815
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
4-propoxypiperidine-1-carbothioic S-acid
CID 169214588
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
CID 119780018
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide?
The IUPAC name of (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide (CID 124620131) is (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide.
What is the SMILES notation for (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide?
The canonical SMILES for (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide is CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1.
What is the InChIKey of (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide?
The InChIKey is SZBPVVPTCKEFGF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-12-21-14-6-5-10-19(11-8-14)16(20)18-13-15-7-9-17(2,3)22-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide?
(4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-4-propoxyazepane-1-carboxamide is sourced from PubChem (CID 124620131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).