N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide

C16H21N3O — CID 121426047

IUPACN,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide
SMILESCc1nc(N(C)C(=O)CC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11-17-13-9-7-6-8-12(13)15(18-11)19(5)14(20)10-16(2,3)4/h6-9H,10H2,1-5H3
InChIKeyAIZAIDQTUMKVDP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.34
Rot. Bonds2

About N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide

N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide (PubChem CID 121426047) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide
PubChem CID121426047
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide
SMILESCc1nc(N(C)C(=O)CC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N3O/c1-11-17-13-9-7-6-8-12(13)15(18-11)19(5)14(20)10-16(2,3)4/h6-9H,10H2,1-5H3
InChIKeyAIZAIDQTUMKVDP-UHFFFAOYSA-N
XLogP3.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N,N-dimethylacridine-9-carboxamide
CID 125496081
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine;4,4,4-tris(4-chlorophenyl)butan-2-one
CID 142228370
4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 153310887
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide?
The IUPAC name of N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide (CID 121426047) is N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide.
What is the SMILES notation for N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide?
The canonical SMILES for N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide is Cc1nc(N(C)C(=O)CC(C)(C)C)c2ccccc2n1.
What is the InChIKey of N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide?
The InChIKey is AIZAIDQTUMKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-17-13-9-7-6-8-12(13)15(18-11)19(5)14(20)10-16(2,3)4/h6-9H,10H2,1-5H3.
What are the key properties of N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide?
N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide is sourced from PubChem (CID 121426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).