tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate

C25H35N3O3 — CID 143178704

IUPACtert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate
SMILESC/C(=C\Nc1ccc(-c2cccc(O)c2)cn1)C(C)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H35N3O3/c1-18(9-8-14-28(6)24(30)31-25(3,4)5)19(2)16-26-23-13-12-21(17-27-23)20-10-7-11-22(29)15-20/h7,10-13,15-18,29H,8-9,14H2,1-6H3,(H,26,27)/b19-16+
InChIKeyDNPCMRYGFKWBLP-KNTRCKAVSA-N
MW425.57 g/mol
LogP6.05
Rot. Bonds8

About tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate

tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate (PubChem CID 143178704) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate
PubChem CID143178704
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Nametert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate
SMILESC/C(=C\Nc1ccc(-c2cccc(O)c2)cn1)C(C)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H35N3O3/c1-18(9-8-14-28(6)24(30)31-25(3,4)5)19(2)16-26-23-13-12-21(17-27-23)20-10-7-11-22(29)15-20/h7,10-13,15-18,29H,8-9,14H2,1-6H3,(H,26,27)/b19-16+
InChIKeyDNPCMRYGFKWBLP-KNTRCKAVSA-N
XLogP6.05
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate 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 tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate (CID 143178704) is tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate is C/C(=C\Nc1ccc(-c2cccc(O)c2)cn1)C(C)CCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate?
The InChIKey is DNPCMRYGFKWBLP-KNTRCKAVSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18(9-8-14-28(6)24(30)31-25(3,4)5)19(2)16-26-23-13-12-21(17-27-23)20-10-7-11-22(29)15-20/h7,10-13,15-18,29H,8-9,14H2,1-6H3,(H,26,27)/b19-16+.
What are the key properties of tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate?
tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate has a molecular weight of 425.57 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-6-[[5-(3-hydroxyphenyl)-2-pyridinyl]amino]-4,5-dimethylhex-5-enyl]-N-methylcarbamate is sourced from PubChem (CID 143178704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).