4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide

C22H24N2O3 — CID 118695720

IUPAC4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1
InChIKeyQGXRGTMPETWYEO-PCCBWWKXSA-N
MW364.45 g/mol
LogP3.53
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide

4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide (PubChem CID 118695720) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
PubChem CID118695720
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1
InChIKeyQGXRGTMPETWYEO-PCCBWWKXSA-N
XLogP3.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide;4-(cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 158610430
6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
CID 145006148
2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
CID 118700342
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 162200597
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
4-(cyclopropylmethoxy)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 60572307
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide (CID 118695720) is 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide is O=C(Nc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide?
The InChIKey is QGXRGTMPETWYEO-PCCBWWKXSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(16-5-9-18(10-6-16)26-13-14-1-2-14)24-17-7-3-15(4-8-17)21-20-11-19(27-21)12-23-20/h3-10,14,19-21,23H,1-2,11-13H2,(H,24,25)/t19-,20-,21+/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide?
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide is sourced from PubChem (CID 118695720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).