N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C19H21N3O2 — CID 119296176

IUPACN-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3CN2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-18(23)21-15-7-9-16(10-8-15)22-19(24)17-11-13-5-3-4-6-14(13)12-20-17/h3-10,17,20H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHNVPNTFQLYKZOM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.69
Rot. Bonds4

About N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119296176) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119296176
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3CN2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-18(23)21-15-7-9-16(10-8-15)22-19(24)17-11-13-5-3-4-6-14(13)12-20-17/h3-10,17,20H,2,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyHNVPNTFQLYKZOM-UHFFFAOYSA-N
XLogP2.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119282551
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
N-[4-(2-hydroxyethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279684
(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119841210
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119841209
(3S)-N-(3-iodo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896209
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 68845319
N-(3-chloro-4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285022
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119296176) is N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3CN2)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HNVPNTFQLYKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-18(23)21-15-7-9-16(10-8-15)22-19(24)17-11-13-5-3-4-6-14(13)12-20-17/h3-10,17,20H,2,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119296176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).