5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide

C19H25N3O2 — CID 97083649

IUPAC5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CCN1
InChIInChI=1S/C19H25N3O2/c23-17-7-10-22(11-9-20-17)18(24)21-13-15-12-19(15)8-3-5-14-4-1-2-6-16(14)19/h1-2,4,6,15H,3,5,7-13H2,(H,20,23)(H,21,24)/t15-,19+/m0/s1
InChIKeyFIDZFAVCYKGLOM-HNAYVOBHSA-N
MW327.43 g/mol
LogP1.81
Rot. Bonds2

About 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide

5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide (PubChem CID 97083649) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
PubChem CID97083649
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CCN1
InChIInChI=1S/C19H25N3O2/c23-17-7-10-22(11-9-20-17)18(24)21-13-15-12-19(15)8-3-5-14-4-1-2-6-16(14)19/h1-2,4,6,15H,3,5,7-13H2,(H,20,23)(H,21,24)/t15-,19+/m0/s1
InChIKeyFIDZFAVCYKGLOM-HNAYVOBHSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-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

(3S)-3-(hydroxymethyl)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]piperidine-1-carboxamide
CID 97225923
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051053
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 98850145
(2R)-2-(hydroxymethyl)-N-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyrrolidine-1-carboxamide
CID 97055283
3-N-methyl-1-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)piperidine-1,3-dicarboxamide
CID 71855559
3-(2,5-dihydropyrrol-1-yl)-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)pyrrolidine-1-carboxamide
CID 86769564
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
1-(1-methyl-2-oxo-3-pyridinyl)-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 97225811
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
N-[4-oxo-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)butyl]cyclopropanecarboxamide
CID 71919160
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide (CID 97083649) is 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide is O=C1CCN(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CCN1.
What is the InChIKey of 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is FIDZFAVCYKGLOM-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-17-7-10-22(11-9-20-17)18(24)21-13-15-12-19(15)8-3-5-14-4-1-2-6-16(14)19/h1-2,4,6,15H,3,5,7-13H2,(H,20,23)(H,21,24)/t15-,19+/m0/s1.
What are the key properties of 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide?
5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 97083649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).