1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

C29H34F3N7O3 — CID 11952035

IUPAC1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)C1CCC(N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1
InChIInChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)
InChIKeyNPMZBYQQJWHAEW-UHFFFAOYSA-N
MW585.63 g/mol
LogP6.48
Rot. Bonds6

About 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 11952035) has the molecular formula C29H34F3N7O3 and a molecular weight of 585.63 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID11952035
Molecular FormulaC29H34F3N7O3
Molecular Weight585.63 g/mol
Exact Mass585.27
IUPAC Name1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)C1CCC(N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1
InChIInChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)
InChIKeyNPMZBYQQJWHAEW-UHFFFAOYSA-N
XLogP6.48
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.63
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 11952035) is 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)(C)C1CCC(N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NPMZBYQQJWHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40).
What are the key properties of 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 585.63 g/mol, XLogP of 6.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-N-(2H-tetrazol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 11952035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).