N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H24N2O — CID 104558092

IUPACN-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O/c1-2-10-19(12-13-6-7-13)17(20)16-5-3-4-14-11-18-9-8-15(14)16/h3-5,13,18H,2,6-12H2,1H3
InChIKeyXMJOVXAQCNQSCT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.59
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558092) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558092
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O/c1-2-10-19(12-13-6-7-13)17(20)16-5-3-4-14-11-18-9-8-15(14)16/h3-5,13,18H,2,6-12H2,1H3
InChIKeyXMJOVXAQCNQSCT-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)pentan-1-one
CID 116612471
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
(4-methylcyclohexyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612615
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558092) is N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CCCN(CC1CC1)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is XMJOVXAQCNQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-10-19(12-13-6-7-13)17(20)16-5-3-4-14-11-18-9-8-15(14)16/h3-5,13,18H,2,6-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).