2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide

C22H29N5O2 — CID 45191163

IUPAC2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21
InChIInChI=1S/C22H29N5O2/c1-15(28)23-13-20(29)25-18-10-22(2,3)11-19-17(18)12-24-21(26-19)27(4)14-16-8-6-5-7-9-16/h5-9,12,18H,10-11,13-14H2,1-4H3,(H,23,28)(H,25,29)
InChIKeyQRFWUHHAOKRYME-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.38
Rot. Bonds6

About 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide

2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide (PubChem CID 45191163) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide
PubChem CID45191163
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21
InChIInChI=1S/C22H29N5O2/c1-15(28)23-13-20(29)25-18-10-22(2,3)11-19-17(18)12-24-21(26-19)27(4)14-16-8-6-5-7-9-16/h5-9,12,18H,10-11,13-14H2,1-4H3,(H,23,28)(H,25,29)
InChIKeyQRFWUHHAOKRYME-UHFFFAOYSA-N
XLogP2.38
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide (CID 45191163) is 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide is CC(=O)NCC(=O)NC1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21.
What is the InChIKey of 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide?
The InChIKey is QRFWUHHAOKRYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(28)23-13-20(29)25-18-10-22(2,3)11-19-17(18)12-24-21(26-19)27(4)14-16-8-6-5-7-9-16/h5-9,12,18H,10-11,13-14H2,1-4H3,(H,23,28)(H,25,29).
What are the key properties of 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide?
2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]acetamide is sourced from PubChem (CID 45191163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).