N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C28H35N3O3 — CID 60580471

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCOc1cccc(C(CNC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)N(C)C)c1
InChIInChI=1S/C28H35N3O3/c1-19(2)27(30-26(32)16-20-13-14-21-9-6-7-10-22(21)15-20)28(33)29-18-25(31(3)4)23-11-8-12-24(17-23)34-5/h6-15,17,19,25,27H,16,18H2,1-5H3,(H,29,33)(H,30,32)
InChIKeyPAVVYIMWIMJKIL-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.95
Rot. Bonds10

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 60580471) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID60580471
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCOc1cccc(C(CNC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)N(C)C)c1
InChIInChI=1S/C28H35N3O3/c1-19(2)27(30-26(32)16-20-13-14-21-9-6-7-10-22(21)15-20)28(33)29-18-25(31(3)4)23-11-8-12-24(17-23)34-5/h6-15,17,19,25,27H,16,18H2,1-5H3,(H,29,33)(H,30,32)
InChIKeyPAVVYIMWIMJKIL-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55361997
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51251248
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 60580471) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is COc1cccc(C(CNC(=O)C(NC(=O)Cc2ccc3ccccc3c2)C(C)C)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is PAVVYIMWIMJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19(2)27(30-26(32)16-20-13-14-21-9-6-7-10-22(21)15-20)28(33)29-18-25(31(3)4)23-11-8-12-24(17-23)34-5/h6-15,17,19,25,27H,16,18H2,1-5H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 461.61 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 60580471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).