(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide

C23H30N2O4 — CID 59494191

IUPAC(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12
InChIInChI=1S/C23H30N2O4/c1-27-10-4-11-28-21-14-17(13-18-5-2-3-6-20(18)21)16-25(19-7-8-19)23(26)22-15-24-9-12-29-22/h2-3,5-6,13-14,19,22,24H,4,7-12,15-16H2,1H3/t22-/m1/s1
InChIKeyPXKWFPHRFQPVMA-JOCHJYFZSA-N
MW398.50 g/mol
LogP2.73
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494191) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
PubChem CID59494191
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12
InChIInChI=1S/C23H30N2O4/c1-27-10-4-11-28-21-14-17(13-18-5-2-3-6-20(18)21)16-25(19-7-8-19)23(26)22-15-24-9-12-29-22/h2-3,5-6,13-14,19,22,24H,4,7-12,15-16H2,1H3/t22-/m1/s1
InChIKeyPXKWFPHRFQPVMA-JOCHJYFZSA-N
XLogP2.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
(2R)-N-[(8-bromo-4-pentoxyquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 126583426
tert-butyl (6S)-2-[cyclopropyl-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]carbamoyl]-6-(phenoxymethyl)morpholine-4-carboxylate
CID 59494338
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
tert-butyl (2R,6S)-2-[cyclopropyl-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]carbamoyl]-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 59494162
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
N-cyclopropyl-N-[[1-(2-methoxyphenyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494035
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
CID 59494309

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide (CID 59494191) is (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide is COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide?
The InChIKey is PXKWFPHRFQPVMA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-10-4-11-28-21-14-17(13-18-5-2-3-6-20(18)21)16-25(19-7-8-19)23(26)22-15-24-9-12-29-22/h2-3,5-6,13-14,19,22,24H,4,7-12,15-16H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).