(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one

C20H21NO — CID 177494103

IUPAC(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
SMILESC/C(N[C@H](C)c1ccccc1)=C1\CCc2ccccc2C1=O
InChIInChI=1S/C20H21NO/c1-14(16-8-4-3-5-9-16)21-15(2)18-13-12-17-10-6-7-11-19(17)20(18)22/h3-11,14,21H,12-13H2,1-2H3/b18-15-/t14-/m1/s1
InChIKeyLTLQRWWTVAEDGP-QFVIEVDGSA-N
MW291.39 g/mol
LogP4.44
Rot. Bonds3

About (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one

(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 177494103) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
PubChem CID177494103
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
SMILESC/C(N[C@H](C)c1ccccc1)=C1\CCc2ccccc2C1=O
InChIInChI=1S/C20H21NO/c1-14(16-8-4-3-5-9-16)21-15(2)18-13-12-17-10-6-7-11-19(17)20(18)22/h3-11,14,21H,12-13H2,1-2H3/b18-15-/t14-/m1/s1
InChIKeyLTLQRWWTVAEDGP-QFVIEVDGSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427636
(2E)-2-[phenyl(thiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 171477739
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313
1-phenylethylcarbamodithioic acid
CID 3032776
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
carbon monoxide;chromium;N-[(1R)-1-phenylethyl]acetamide
CID 14362564
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one (CID 177494103) is (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one is C/C(N[C@H](C)c1ccccc1)=C1\CCc2ccccc2C1=O.
What is the InChIKey of (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is LTLQRWWTVAEDGP-QFVIEVDGSA-N. The full InChI is InChI=1S/C20H21NO/c1-14(16-8-4-3-5-9-16)21-15(2)18-13-12-17-10-6-7-11-19(17)20(18)22/h3-11,14,21H,12-13H2,1-2H3/b18-15-/t14-/m1/s1.
What are the key properties of (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one?
(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 291.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 177494103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).