N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

C14H23N3O2 — CID 81058953

IUPACN-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(3)10-14(18)16-13-6-4-5-12(15)9-13/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyXDYMKZWUCIFCNN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.56
Rot. Bonds7

About N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide

N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (PubChem CID 81058953) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
PubChem CID81058953
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
SMILESCC(C)OCCN(C)CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(3)10-14(18)16-13-6-4-5-12(15)9-13/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18)
InChIKeyXDYMKZWUCIFCNN-UHFFFAOYSA-N
XLogP1.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide (CID 81058953) is N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is CC(C)OCCN(C)CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
The InChIKey is XDYMKZWUCIFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)19-8-7-17(3)10-14(18)16-13-6-4-5-12(15)9-13/h4-6,9,11H,7-8,10,15H2,1-3H3,(H,16,18).
What are the key properties of N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide?
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide is sourced from PubChem (CID 81058953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).