2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide

C14H21N3O2 — CID 65349911

IUPAC2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-13(19)9-16-12(18)8-10-5-4-6-11(15)7-10/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCAVYMUQRYYHZAJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds4

About 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide

2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide (PubChem CID 65349911) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
PubChem CID65349911
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-13(19)9-16-12(18)8-10-5-4-6-11(15)7-10/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCAVYMUQRYYHZAJ-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-propylacetamide
CID 28689659
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 65350447
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylacetamide
CID 43460254
2-[(3-aminophenyl)methyl-propylamino]-N-tert-butylacetamide
CID 43459726
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-carbamothioylphenyl)acetamide
CID 115356330
2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 65350197

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide (CID 65349911) is 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide is CC(C)(C)NC(=O)CNC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
The InChIKey is CAVYMUQRYYHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)17-13(19)9-16-12(18)8-10-5-4-6-11(15)7-10/h4-7H,8-9,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide?
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 65349911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).