N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide

C19H30N2O — CID 110403747

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide
SMILESCCCC(=O)NCC(CC(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C19H30N2O/c1-4-7-19(22)20-13-18(12-15(2)3)21-11-10-16-8-5-6-9-17(16)14-21/h5-6,8-9,15,18H,4,7,10-14H2,1-3H3,(H,20,22)
InChIKeySJALMNMRTOZJGJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide (PubChem CID 110403747) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide
PubChem CID110403747
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide
SMILESCCCC(=O)NCC(CC(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C19H30N2O/c1-4-7-19(22)20-13-18(12-15(2)3)21-11-10-16-8-5-6-9-17(16)14-21/h5-6,8-9,15,18H,4,7,10-14H2,1-3H3,(H,20,22)
InChIKeySJALMNMRTOZJGJ-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 100655568
N-[3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 96508429
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]acetamide
CID 55610713
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46449260
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 42957082
4-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]butanamide
CID 46460635
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide
CID 55636249
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]acetamide
CID 55610832
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974938

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide (CID 110403747) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide is CCCC(=O)NCC(CC(C)C)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide?
The InChIKey is SJALMNMRTOZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-7-19(22)20-13-18(12-15(2)3)21-11-10-16-8-5-6-9-17(16)14-21/h5-6,8-9,15,18H,4,7,10-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide has a molecular weight of 302.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide is sourced from PubChem (CID 110403747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).