N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide

C26H29N3O2 — CID 46092028

IUPACN-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C26H29N3O2/c1-3-14-29(16-17-4-5-17)26(30)19-8-6-18(7-9-19)24-23-12-10-20-15-21(31-2)11-13-22(20)25(23)28-27-24/h6-9,11,13,15,17H,3-5,10,12,14,16H2,1-2H3,(H,27,28)
InChIKeySPJHPZSEQGXNAR-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.11
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide

N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide (PubChem CID 46092028) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
PubChem CID46092028
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C26H29N3O2/c1-3-14-29(16-17-4-5-17)26(30)19-8-6-18(7-9-19)24-23-12-10-20-15-21(31-2)11-13-22(20)25(23)28-27-24/h6-9,11,13,15,17H,3-5,10,12,14,16H2,1-2H3,(H,27,28)
InChIKeySPJHPZSEQGXNAR-UHFFFAOYSA-N
XLogP5.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 46091633
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
CID 46091725
N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 46091673
4-methoxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702846
N-[(3,4-difluorophenyl)methyl]-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 91633968
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)phenyl]methanone
CID 46091674
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 93017301
N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide
CID 46092055
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
CID 78785886

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide (CID 46092028) is N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(-c2n[nH]c3c2CCc2cc(OC)ccc2-3)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide?
The InChIKey is SPJHPZSEQGXNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-14-29(16-17-4-5-17)26(30)19-8-6-18(7-9-19)24-23-12-10-20-15-21(31-2)11-13-22(20)25(23)28-27-24/h6-9,11,13,15,17H,3-5,10,12,14,16H2,1-2H3,(H,27,28).
What are the key properties of N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide?
N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide is sourced from PubChem (CID 46092028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).