N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide

C25H40N4O2 — CID 135533966

IUPACN-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide
SMILESCC(CC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)C
InChIInChI=1S/C25H40N4O2/c1-18(17-25(3,4)5)16-22(30)29(15-11-7-6-10-14-26)19(2)23-27-21-13-9-8-12-20(21)24(31)28-23/h8-9,12-13,18-19H,6-7,10-11,14-17,26H2,1-5H3,(H,27,28,31)
InChIKeyBPINHZRZSSGTRL-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.79
Rot. Bonds11

About N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide

N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide (PubChem CID 135533966) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide
PubChem CID135533966
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC NameN-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide
SMILESCC(CC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)C
InChIInChI=1S/C25H40N4O2/c1-18(17-25(3,4)5)16-22(30)29(15-11-7-6-10-14-26)19(2)23-27-21-13-9-8-12-20(21)24(31)28-23/h8-9,12-13,18-19H,6-7,10-11,14-17,26H2,1-5H3,(H,27,28,31)
InChIKeyBPINHZRZSSGTRL-UHFFFAOYSA-N
XLogP4.79
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide with MolForge

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Related Compounds

N-(6-aminohexyl)-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 135619367
(E)-N-(6-aminohexyl)-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 135622575
1-(6-aminohexyl)-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135449474
1-(6-aminohexyl)-3-naphthalen-1-yl-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135516976
N-(6-aminohexyl)-3-fluoro-N-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135619232
N-(6-aminohexyl)-3-chloro-N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135619403
N-(6-aminohexyl)-4-hexyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 135542785
6-[[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-(2-phenoxyacetyl)amino]hexylazanium
CID 135772103
1-(6-aminohexyl)-3-(3-methoxyphenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135500162
6-[[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-(3-phenylpropanoyl)amino]hexylazanium
CID 135622605
6-[(3-chlorobenzoyl)-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]hexylazanium
CID 135619400
N,N-dimethyl-2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]acetamide
CID 135729584

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide?
The IUPAC name of N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide (CID 135533966) is N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide.
What is the SMILES notation for N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide?
The canonical SMILES for N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide is CC(CC(=O)N(CCCCCCN)C(C)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)C.
What is the InChIKey of N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide?
The InChIKey is BPINHZRZSSGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-18(17-25(3,4)5)16-22(30)29(15-11-7-6-10-14-26)19(2)23-27-21-13-9-8-12-20(21)24(31)28-23/h8-9,12-13,18-19H,6-7,10-11,14-17,26H2,1-5H3,(H,27,28,31).
What are the key properties of N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide?
N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide has a molecular weight of 428.62 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3,5,5-trimethyl-N-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]hexanamide is sourced from PubChem (CID 135533966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).