N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

C14H18N2O — CID 115104820

IUPACN-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCNC2)NC1CC1
InChIInChI=1S/C14H18N2O/c17-14(16-13-3-4-13)8-10-1-2-12-9-15-6-5-11(12)7-10/h1-2,7,13,15H,3-6,8-9H2,(H,16,17)
InChIKeySHJLFTVEBIWNAV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.15
Rot. Bonds3

About N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (PubChem CID 115104820) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
PubChem CID115104820
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCNC2)NC1CC1
InChIInChI=1S/C14H18N2O/c17-14(16-13-3-4-13)8-10-1-2-12-9-15-6-5-11(12)7-10/h1-2,7,13,15H,3-6,8-9H2,(H,16,17)
InChIKeySHJLFTVEBIWNAV-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105014
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
CID 87482046

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (CID 115104820) is N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is O=C(Cc1ccc2c(c1)CCNC2)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The InChIKey is SHJLFTVEBIWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(16-13-3-4-13)8-10-1-2-12-9-15-6-5-11(12)7-10/h1-2,7,13,15H,3-6,8-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is sourced from PubChem (CID 115104820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).