4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide

C16H25N3O3 — CID 93216573

IUPAC4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)COc1cc(C(=O)NC(C)C)ccc1N
InChIInChI=1S/C16H25N3O3/c1-4-5-8-18-15(20)10-22-14-9-12(6-7-13(14)17)16(21)19-11(2)3/h6-7,9,11H,4-5,8,10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGGGJDPXONAVERN-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.70
Rot. Bonds8

About 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide

4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide (PubChem CID 93216573) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
PubChem CID93216573
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)COc1cc(C(=O)NC(C)C)ccc1N
InChIInChI=1S/C16H25N3O3/c1-4-5-8-18-15(20)10-22-14-9-12(6-7-13(14)17)16(21)19-11(2)3/h6-7,9,11H,4-5,8,10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGGGJDPXONAVERN-UHFFFAOYSA-N
XLogP1.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
4-amino-3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61489341
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
[2-(butylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61485782

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide (CID 93216573) is 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide is CCCCNC(=O)COc1cc(C(=O)NC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide?
The InChIKey is GGGJDPXONAVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-5-8-18-15(20)10-22-14-9-12(6-7-13(14)17)16(21)19-11(2)3/h6-7,9,11H,4-5,8,10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide?
4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide has a molecular weight of 307.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(butylamino)-2-oxoethoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 93216573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).