N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide

C16H23N3O2 — CID 79843543

IUPACN-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(21)19-13-6-3-5-12(9-13)18-14(20)10-16(17)7-4-8-16/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYRAJXRUBVDRMKC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds5

About N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 79843543) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID79843543
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)15(21)19-13-6-3-5-12(9-13)18-14(20)10-16(17)7-4-8-16/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYRAJXRUBVDRMKC-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
N-[1-(3-acetamidophenyl)ethyl]-2-(1-aminocyclobutyl)acetamide
CID 79844247
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide (CID 79843543) is N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CC2(N)CCC2)c1.
What is the InChIKey of N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is YRAJXRUBVDRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15(21)19-13-6-3-5-12(9-13)18-14(20)10-16(17)7-4-8-16/h3,5-6,9,11H,4,7-8,10,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 79843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).