2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide

C26H37N5O — CID 142228886

IUPAC2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
SMILESCN(C)c1nc(NCC2CCC(CNC(=O)CC3=CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H37N5O/c1-31(2)25-22-10-6-7-11-23(22)29-26(30-25)28-18-21-14-12-20(13-15-21)17-27-24(32)16-19-8-4-3-5-9-19/h6-8,10-11,20-21H,3-5,9,12-18H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyXAFRTDBWWZJKQD-UHFFFAOYSA-N
MW435.62 g/mol
LogP4.92
Rot. Bonds8

About 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide

2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide (PubChem CID 142228886) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
PubChem CID142228886
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
SMILESCN(C)c1nc(NCC2CCC(CNC(=O)CC3=CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C26H37N5O/c1-31(2)25-22-10-6-7-11-23(22)29-26(30-25)28-18-21-14-12-20(13-15-21)17-27-24(32)16-19-8-4-3-5-9-19/h6-8,10-11,20-21H,3-5,9,12-18H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyXAFRTDBWWZJKQD-UHFFFAOYSA-N
XLogP4.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
3-chloro-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluorobenzamide
CID 142228789
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
CID 142228752
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]nonanamide
CID 142230266
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499
4-N,4-N-dimethyl-2-N-[[4-[[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142229651
4-N,4-N-dimethyl-2-N-[[4-[[4-[(E)-2-phenylethenyl]phenyl]methylamino]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230928

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide (CID 142228886) is 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide is CN(C)c1nc(NCC2CCC(CNC(=O)CC3=CCCCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide?
The InChIKey is XAFRTDBWWZJKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O/c1-31(2)25-22-10-6-7-11-23(22)29-26(30-25)28-18-21-14-12-20(13-15-21)17-27-24(32)16-19-8-4-3-5-9-19/h6-8,10-11,20-21H,3-5,9,12-18H2,1-2H3,(H,27,32)(H,28,29,30).
What are the key properties of 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide?
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide has a molecular weight of 435.62 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 142228886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).