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

C14H20N4O3 — CID 60851547

IUPACN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C14H20N4O3/c1-9(2)14(21)18-11-5-3-4-10(6-11)17-13(20)8-16-12(19)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyDNUKOSZKQSGGGT-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.29
Rot. Bonds6

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

N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 60851547) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID60851547
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C14H20N4O3/c1-9(2)14(21)18-11-5-3-4-10(6-11)17-13(20)8-16-12(19)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyDNUKOSZKQSGGGT-UHFFFAOYSA-N
XLogP0.29
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
CID 60927446
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
CID 166762755

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide (CID 60851547) is N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1.
What is the InChIKey of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is DNUKOSZKQSGGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)14(21)18-11-5-3-4-10(6-11)17-13(20)8-16-12(19)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 292.34 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 60851547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).