(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide

C19H25N3O3 — CID 74239213

IUPAC(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)12-25-17-8-4-6-15(9-17)21-19(24)22-10-14-5-3-7-16(11-22)20-18(14)23/h4,6,8-9,14,16H,1,3,5,7,10-12H2,2H3,(H,20,23)(H,21,24)/t14-,16+/m1/s1
InChIKeyQHLWQRRYIAQTDQ-ZBFHGGJFSA-N
MW343.43 g/mol
LogP2.77
Rot. Bonds4

About (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide

(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide (PubChem CID 74239213) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
PubChem CID74239213
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)12-25-17-8-4-6-15(9-17)21-19(24)22-10-14-5-3-7-16(11-22)20-18(14)23/h4,6,8-9,14,16H,1,3,5,7,10-12H2,2H3,(H,20,23)(H,21,24)/t14-,16+/m1/s1
InChIKeyQHLWQRRYIAQTDQ-ZBFHGGJFSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-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

(1S,5R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 72854907
(3S,4S)-1-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122079046
(3R)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124567703
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
CID 91830771
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110929038
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide?
The IUPAC name of (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide (CID 74239213) is (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide is C=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1.
What is the InChIKey of (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide?
The InChIKey is QHLWQRRYIAQTDQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)12-25-17-8-4-6-15(9-17)21-19(24)22-10-14-5-3-7-16(11-22)20-18(14)23/h4,6,8-9,14,16H,1,3,5,7,10-12H2,2H3,(H,20,23)(H,21,24)/t14-,16+/m1/s1.
What are the key properties of (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide?
(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide is sourced from PubChem (CID 74239213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).