2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide

C18H25N3O2 — CID 34068559

IUPAC2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1C
InChIInChI=1S/C18H25N3O2/c1-11-15(4-3-5-16(11)20-12(2)22)19-10-17(23)21-18(13-6-7-13)14-8-9-14/h3-5,13-14,18-19H,6-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTXGLCQCPOLGVLV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.67
Rot. Bonds7

About 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide

2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide (PubChem CID 34068559) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
PubChem CID34068559
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1C
InChIInChI=1S/C18H25N3O2/c1-11-15(4-3-5-16(11)20-12(2)22)19-10-17(23)21-18(13-6-7-13)14-8-9-14/h3-5,13-14,18-19H,6-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTXGLCQCPOLGVLV-UHFFFAOYSA-N
XLogP2.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 86930913
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-(dicyclopropylmethyl)-2-(2-phenylsulfanylanilino)acetamide
CID 29469612
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide (CID 34068559) is 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide is CC(=O)Nc1cccc(NCC(=O)NC(C2CC2)C2CC2)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide?
The InChIKey is TXGLCQCPOLGVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-15(4-3-5-16(11)20-12(2)22)19-10-17(23)21-18(13-6-7-13)14-8-9-14/h3-5,13-14,18-19H,6-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide?
2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 34068559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).