N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide

C15H23N3O2 — CID 3381858

IUPACN-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CNCC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-11(2)8-16-9-14(19)17-10-15(20)18-13-6-4-5-12(3)7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNGLOCVAJNBKRSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide

N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide (PubChem CID 3381858) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
PubChem CID3381858
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CNCC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-11(2)8-16-9-14(19)17-10-15(20)18-13-6-4-5-12(3)7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNGLOCVAJNBKRSI-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 44568765
N-(3-methylphenyl)-2-(2-methylpropoxyamino)acetamide
CID 82715291
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide (CID 3381858) is N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide is Cc1cccc(NC(=O)CNC(=O)CNCC(C)C)c1.
What is the InChIKey of N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide?
The InChIKey is NGLOCVAJNBKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)8-16-9-14(19)17-10-15(20)18-13-6-4-5-12(3)7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide?
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 3381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).