4-amino-3-(3-bromoanilino)-N-ethylbutanamide

C12H18BrN3O — CID 66429291

IUPAC4-amino-3-(3-bromoanilino)-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)Nc1cccc(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-2-15-12(17)7-11(8-14)16-10-5-3-4-9(13)6-10/h3-6,11,16H,2,7-8,14H2,1H3,(H,15,17)
InChIKeyRKXVPOJAWUOJTA-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.71
Rot. Bonds6

About 4-amino-3-(3-bromoanilino)-N-ethylbutanamide

4-amino-3-(3-bromoanilino)-N-ethylbutanamide (PubChem CID 66429291) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-amino-3-(3-bromoanilino)-N-ethylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-bromoanilino)-N-ethylbutanamide
PubChem CID66429291
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-amino-3-(3-bromoanilino)-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)Nc1cccc(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-2-15-12(17)7-11(8-14)16-10-5-3-4-9(13)6-10/h3-6,11,16H,2,7-8,14H2,1H3,(H,15,17)
InChIKeyRKXVPOJAWUOJTA-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide
CID 66431191
2-(3-bromoanilino)pentanamide
CID 61005208
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
ethyl (3R)-3-(3-bromoanilino)butanoate
CID 101375260
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
2-(3-bromoanilino)nonanamide
CID 54892272
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-bromoanilino)-N-ethylbutanamide?
The IUPAC name of 4-amino-3-(3-bromoanilino)-N-ethylbutanamide (CID 66429291) is 4-amino-3-(3-bromoanilino)-N-ethylbutanamide.
What is the SMILES notation for 4-amino-3-(3-bromoanilino)-N-ethylbutanamide?
The canonical SMILES for 4-amino-3-(3-bromoanilino)-N-ethylbutanamide is CCNC(=O)CC(CN)Nc1cccc(Br)c1.
What is the InChIKey of 4-amino-3-(3-bromoanilino)-N-ethylbutanamide?
The InChIKey is RKXVPOJAWUOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-15-12(17)7-11(8-14)16-10-5-3-4-9(13)6-10/h3-6,11,16H,2,7-8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-(3-bromoanilino)-N-ethylbutanamide?
4-amino-3-(3-bromoanilino)-N-ethylbutanamide has a molecular weight of 300.20 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-bromoanilino)-N-ethylbutanamide is sourced from PubChem (CID 66429291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).