(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide

C22H29NO3 — CID 100763689

IUPAC(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-20-14-13-19(17-9-7-8-10-18(17)20)23-21(24)22(3,26-5-2)16-11-12-16/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,23,24)/t22-/m1/s1
InChIKeySLBNGPGBLLDDIE-JOCHJYFZSA-N
MW355.48 g/mol
LogP5.16
Rot. Bonds9

About (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide

(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 100763689) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
PubChem CID100763689
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12
InChIInChI=1S/C22H29NO3/c1-4-6-15-25-20-14-13-19(17-9-7-8-10-18(17)20)23-21(24)22(3,26-5-2)16-11-12-16/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,23,24)/t22-/m1/s1
InChIKeySLBNGPGBLLDDIE-JOCHJYFZSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
CID 100777479
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
CID 100761479
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
(2R)-2-cyclopropyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100778843
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-cyclopropyl-N-[8-(2-methylpropoxy)quinolin-5-yl]-2-propoxypropanamide
CID 133206007
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide (CID 100763689) is (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide is CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12.
What is the InChIKey of (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is SLBNGPGBLLDDIE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-6-15-25-20-14-13-19(17-9-7-8-10-18(17)20)23-21(24)22(3,26-5-2)16-11-12-16/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,23,24)/t22-/m1/s1.
What are the key properties of (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide?
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide has a molecular weight of 355.48 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 100763689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).