N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide

C20H25N3O3 — CID 36860927

IUPACN,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-4-12-26-18-7-5-6-17(13-18)21-14-19(24)22-16-10-8-15(9-11-16)20(25)23(2)3/h5-11,13,21H,4,12,14H2,1-3H3,(H,22,24)
InChIKeyMVLWNKWRGMAKGS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.23
Rot. Bonds8

About N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide (PubChem CID 36860927) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
PubChem CID36860927
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-4-12-26-18-7-5-6-17(13-18)21-14-19(24)22-16-10-8-15(9-11-16)20(25)23(2)3/h5-11,13,21H,4,12,14H2,1-3H3,(H,22,24)
InChIKeyMVLWNKWRGMAKGS-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide (CID 36860927) is N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide is CCCOc1cccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
The InChIKey is MVLWNKWRGMAKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-12-26-18-7-5-6-17(13-18)21-14-19(24)22-16-10-8-15(9-11-16)20(25)23(2)3/h5-11,13,21H,4,12,14H2,1-3H3,(H,22,24).
What are the key properties of N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(3-propoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 36860927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).