N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C25H25N3O3 — CID 68753684

IUPACN-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(COCc1ccccc1)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(18-31-17-19-6-2-1-3-7-19)26-22-10-12-23(13-11-22)27-25(30)28-15-14-20-8-4-5-9-21(20)16-28/h1-13H,14-18H2,(H,26,29)(H,27,30)
InChIKeyQWYBBGZAOSFLJL-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 68753684) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID68753684
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(COCc1ccccc1)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(18-31-17-19-6-2-1-3-7-19)26-22-10-12-23(13-11-22)27-25(30)28-15-14-20-8-4-5-9-21(20)16-28/h1-13H,14-18H2,(H,26,29)(H,27,30)
InChIKeyQWYBBGZAOSFLJL-UHFFFAOYSA-N
XLogP4.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-[4-[[(3S)-3-methylpentanoyl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68752010
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
N-[4-(5-phenylpent-1-enyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68746516
N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
N-[4-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42785019
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 68753684) is N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(COCc1ccccc1)Nc1ccc(NC(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QWYBBGZAOSFLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(18-31-17-19-6-2-1-3-7-19)26-22-10-12-23(13-11-22)27-25(30)28-15-14-20-8-4-5-9-21(20)16-28/h1-13H,14-18H2,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 68753684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).