N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C22H35N3O2 — CID 78886795

IUPACN-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NC(CN1CCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C22H35N3O2/c1-21(2,3)18(24-19(26)13-23-20(27)22(4,5)6)15-25-12-11-16-9-7-8-10-17(16)14-25/h7-10,18H,11-15H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyGTVCFQOHOJRHAJ-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.74
Rot. Bonds5

About N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 78886795) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID78886795
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)NC(CN1CCc2ccccc2C1)C(C)(C)C
InChIInChI=1S/C22H35N3O2/c1-21(2,3)18(24-19(26)13-23-20(27)22(4,5)6)15-25-12-11-16-9-7-8-10-17(16)14-25/h7-10,18H,11-15H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyGTVCFQOHOJRHAJ-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 95772546
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]urea
CID 51961727
N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
tert-butyl N-[2-[[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 10691807
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133349797
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
CID 75524597
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 78886795) is N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)NC(CN1CCc2ccccc2C1)C(C)(C)C.
What is the InChIKey of N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is GTVCFQOHOJRHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-21(2,3)18(24-19(26)13-23-20(27)22(4,5)6)15-25-12-11-16-9-7-8-10-17(16)14-25/h7-10,18H,11-15H2,1-6H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 373.54 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 78886795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).