(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

C15H29N3O4 — CID 163339993

IUPAC(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOCCCNC(=O)N1C[C@H]2CN(CCOC)C[C@@H](C1)O2
InChIInChI=1S/C15H29N3O4/c1-3-21-7-4-5-16-15(19)18-11-13-9-17(6-8-20-2)10-14(12-18)22-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+
InChIKeyCRWDFXRNUQQMFQ-OKILXGFUSA-N
MW315.41 g/mol
LogP0.15
Rot. Bonds8

About (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 163339993) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID163339993
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Name(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOCCCNC(=O)N1C[C@H]2CN(CCOC)C[C@@H](C1)O2
InChIInChI=1S/C15H29N3O4/c1-3-21-7-4-5-16-15(19)18-11-13-9-17(6-8-20-2)10-14(12-18)22-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+
InChIKeyCRWDFXRNUQQMFQ-OKILXGFUSA-N
XLogP0.15
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
(2R,6S)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]-6-methylmorpholine-4-carboxamide
CID 96516458
2-[2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)ethoxy]acetic acid
CID 79463861
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121164595
4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022923
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
CID 164555528
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (CID 163339993) is (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is CCOCCCNC(=O)N1C[C@H]2CN(CCOC)C[C@@H](C1)O2.
What is the InChIKey of (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CRWDFXRNUQQMFQ-OKILXGFUSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-3-21-7-4-5-16-15(19)18-11-13-9-17(6-8-20-2)10-14(12-18)22-13/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+.
What are the key properties of (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(3-ethoxypropyl)-7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 163339993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).