N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide

C27H29N3O3 — CID 32710089

IUPACN-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C27H29N3O3/c1-19-12-13-25(33-2)24(14-19)29-26(31)15-28-27(32)18-30-16-21-10-6-7-11-22(21)23(17-30)20-8-4-3-5-9-20/h3-14,23H,15-18H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKeyUBSHVRGKTIKWNV-QHCPKHFHSA-N
MW443.55 g/mol
LogP3.71
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide (PubChem CID 32710089) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide
PubChem CID32710089
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1
InChIInChI=1S/C27H29N3O3/c1-19-12-13-25(33-2)24(14-19)29-26(31)15-28-27(32)18-30-16-21-10-6-7-11-22(21)23(17-30)20-8-4-3-5-9-20/h3-14,23H,15-18H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1
InChIKeyUBSHVRGKTIKWNV-QHCPKHFHSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
ethyl (3R)-1-[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51562598
(3aS,6aR)-2-[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681387
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24677531
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35130352

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide (CID 32710089) is N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide?
The InChIKey is UBSHVRGKTIKWNV-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-12-13-25(33-2)24(14-19)29-26(31)15-28-27(32)18-30-16-21-10-6-7-11-22(21)23(17-30)20-8-4-3-5-9-20/h3-14,23H,15-18H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide has a molecular weight of 443.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 32710089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).