4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one

C21H26N2O2 — CID 121458586

IUPAC4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
SMILESC[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O2/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18/h2-8,15-16,18,22H,9-14H2,1H3/t15-,18?/m1/s1
InChIKeyXFTJNDXGTNLJJD-NNJIEVJOSA-N
MW338.45 g/mol
LogP3.13
Rot. Bonds6

About 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one

4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one (PubChem CID 121458586) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
PubChem CID121458586
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
SMILESC[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O2/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18/h2-8,15-16,18,22H,9-14H2,1H3/t15-,18?/m1/s1
InChIKeyXFTJNDXGTNLJJD-NNJIEVJOSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one with MolForge

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Related Compounds

4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one;hydrochloride
CID 130385065
3-[[2-[(1-naphthalen-1-ylethylamino)methyl]-5-oxomorpholin-4-yl]methyl]benzoic acid
CID 72680316
4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 122522388
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
CID 77464215
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(1R)-N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 141392582
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
CID 118785319
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
4-methyl-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid;hydrochloride
CID 66551911
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one (CID 121458586) is 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one is C[C@@H](NCC1CN(CC2CC2)C(=O)CO1)c1cccc2ccccc12.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
The InChIKey is XFTJNDXGTNLJJD-NNJIEVJOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(19-8-4-6-17-5-2-3-7-20(17)19)22-11-18-13-23(12-16-9-10-16)21(24)14-25-18/h2-8,15-16,18,22H,9-14H2,1H3/t15-,18?/m1/s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one?
4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one has a molecular weight of 338.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one is sourced from PubChem (CID 121458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).