4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide

C14H21N3O3 — CID 115355845

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-12(18)8-16-13(19)10-6-5-9(15)7-11(10)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHDCLENOTAPXTDG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide (PubChem CID 115355845) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
PubChem CID115355845
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-12(18)8-16-13(19)10-6-5-9(15)7-11(10)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHDCLENOTAPXTDG-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
3-[(4-amino-2-methoxybenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 107207865
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
4-amino-2-[2-(tert-butylamino)-2-oxoethoxy]benzoic acid
CID 106954735
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide (CID 115355845) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide is COc1cc(N)ccc1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is HDCLENOTAPXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)17-12(18)8-16-13(19)10-6-5-9(15)7-11(10)20-4/h5-7H,8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 115355845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).