N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide

C26H31N3O2 — CID 77464215

IUPACN,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
SMILESCC(NCC1CN(c2ccc(C(=O)N(C)C)cc2)CCO1)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O2/c1-19(24-10-6-8-20-7-4-5-9-25(20)24)27-17-23-18-29(15-16-31-23)22-13-11-21(12-14-22)26(30)28(2)3/h4-14,19,23,27H,15-18H2,1-3H3
InChIKeyWYJPNYPKSHBACI-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.10
Rot. Bonds6

About N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide

N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide (PubChem CID 77464215) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
PubChem CID77464215
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide
SMILESCC(NCC1CN(c2ccc(C(=O)N(C)C)cc2)CCO1)c1cccc2ccccc12
InChIInChI=1S/C26H31N3O2/c1-19(24-10-6-8-20-7-4-5-9-25(20)24)27-17-23-18-29(15-16-31-23)22-13-11-21(12-14-22)26(30)28(2)3/h4-14,19,23,27H,15-18H2,1-3H3
InChIKeyWYJPNYPKSHBACI-UHFFFAOYSA-N
XLogP4.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide
CID 77489021
N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
CID 67410917
N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
CID 121458579
4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]benzoic acid;hydrochloride
CID 162324135
N,N-dimethyl-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;methane;N-methylmethanamine;4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoic acid;4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl chloride;sulfane;tetrahydrochloride
CID 159577773
4-methyl-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid;hydrochloride
CID 66551911
4-[4-(fluoromethyl)phenyl]-6-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 122522388
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
(1R)-N-[[4-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-naphthalen-1-ylethanamine
CID 66551320
methyl 3-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzoate
CID 66550183
3-[[2-[(1-naphthalen-1-ylethylamino)methyl]-5-oxomorpholin-4-yl]methyl]benzoic acid
CID 72680316
methyl 4-[[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]morpholin-4-yl]methyl]benzoate
CID 122507072

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide (CID 77464215) is N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide is CC(NCC1CN(c2ccc(C(=O)N(C)C)cc2)CCO1)c1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide?
The InChIKey is WYJPNYPKSHBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19(24-10-6-8-20-7-4-5-9-25(20)24)27-17-23-18-29(15-16-31-23)22-13-11-21(12-14-22)26(30)28(2)3/h4-14,19,23,27H,15-18H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide?
N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[(1-naphthalen-1-ylethylamino)methyl]morpholin-4-yl]benzamide is sourced from PubChem (CID 77464215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).