(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

C26H29N3O4 — CID 55941741

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)ccc2c1
InChIInChI=1S/C26H29N3O4/c1-18(19-3-4-21-16-24(32-2)10-5-20(21)15-19)26(31)28-23-8-6-22(7-9-23)27-25(30)17-29-11-13-33-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyZXXQYFVPBKGVSQ-SFHVURJKSA-N
MW447.54 g/mol
LogP3.86
Rot. Bonds7

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (PubChem CID 55941741) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
PubChem CID55941741
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)ccc2c1
InChIInChI=1S/C26H29N3O4/c1-18(19-3-4-21-16-24(32-2)10-5-20(21)15-19)26(31)28-23-8-6-22(7-9-23)27-25(30)17-29-11-13-33-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyZXXQYFVPBKGVSQ-SFHVURJKSA-N
XLogP3.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55937981
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55793069
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (CID 55941741) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The InChIKey is ZXXQYFVPBKGVSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18(19-3-4-21-16-24(32-2)10-5-20(21)15-19)26(31)28-23-8-6-22(7-9-23)27-25(30)17-29-11-13-33-14-12-29/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide has a molecular weight of 447.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 55941741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).