N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide

C19H24N2O — CID 11220185

IUPACN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyCEUJKSVEPJAVKD-SFHVURJKSA-N
MW296.41 g/mol
LogP3.30
Rot. Bonds4

About N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide

N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 11220185) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID11220185
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3/t18-/m0/s1
InChIKeyCEUJKSVEPJAVKD-SFHVURJKSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide (CID 11220185) is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide is CC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is CEUJKSVEPJAVKD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 11220185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).