N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide

C22H26N4O4 — CID 135887554

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)N(C)C)cc1
InChIInChI=1S/C22H26N4O4/c1-26(2)19(15-8-10-16(29-3)11-9-15)12-23-21(27)14-30-13-20-24-18-7-5-4-6-17(18)22(28)25-20/h4-11,19H,12-14H2,1-3H3,(H,23,27)(H,24,25,28)/t19-/m1/s1
InChIKeyJWWYCXUWYJVMSF-LJQANCHMSA-N
MW410.47 g/mol
LogP1.87
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide (PubChem CID 135887554) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
PubChem CID135887554
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)N(C)C)cc1
InChIInChI=1S/C22H26N4O4/c1-26(2)19(15-8-10-16(29-3)11-9-15)12-23-21(27)14-30-13-20-24-18-7-5-4-6-17(18)22(28)25-20/h4-11,19H,12-14H2,1-3H3,(H,23,27)(H,24,25,28)/t19-/m1/s1
InChIKeyJWWYCXUWYJVMSF-LJQANCHMSA-N
XLogP1.87
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135894096
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide (CID 135887554) is N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide is COc1ccc([C@@H](CNC(=O)COCc2nc3ccccc3c(=O)[nH]2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The InChIKey is JWWYCXUWYJVMSF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-26(2)19(15-8-10-16(29-3)11-9-15)12-23-21(27)14-30-13-20-24-18-7-5-4-6-17(18)22(28)25-20/h4-11,19H,12-14H2,1-3H3,(H,23,27)(H,24,25,28)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide is sourced from PubChem (CID 135887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).