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

C18H24N2O — CID 65262216

IUPACN,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(C1CNCc2ccccc21)N(CC1CC1)CC1CC1
InChIInChI=1S/C18H24N2O/c21-18(20(11-13-5-6-13)12-14-7-8-14)17-10-19-9-15-3-1-2-4-16(15)17/h1-4,13-14,17,19H,5-12H2
InChIKeyZUICFKMBQPRXLV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.52
Rot. Bonds5

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

N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262216) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262216
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(C1CNCc2ccccc21)N(CC1CC1)CC1CC1
InChIInChI=1S/C18H24N2O/c21-18(20(11-13-5-6-13)12-14-7-8-14)17-10-19-9-15-3-1-2-4-16(15)17/h1-4,13-14,17,19H,5-12H2
InChIKeyZUICFKMBQPRXLV-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262216) is N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(C1CNCc2ccccc21)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is ZUICFKMBQPRXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(20(11-13-5-6-13)12-14-7-8-14)17-10-19-9-15-3-1-2-4-16(15)17/h1-4,13-14,17,19H,5-12H2.
What are the key properties of N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).