3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride

C16H24Cl2N4O — CID 119896331

IUPAC3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CCN)c1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-2-3-10-20-11-9-18-16(20)13-5-4-6-14(12-13)19-15(21)7-8-17;;/h4-6,9,11-12H,2-3,7-8,10,17H2,1H3,(H,19,21);2*1H
InChIKeyYEOFQPRIBFFYTO-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.48
Rot. Bonds7

About 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride

3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride (PubChem CID 119896331) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
PubChem CID119896331
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC Name3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CCN)c1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-2-3-10-20-11-9-18-16(20)13-5-4-6-14(12-13)19-15(21)7-8-17;;/h4-6,9,11-12H,2-3,7-8,10,17H2,1H3,(H,19,21);2*1H
InChIKeyYEOFQPRIBFFYTO-UHFFFAOYSA-N
XLogP3.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119896317
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
3-(1-butylimidazol-2-yl)aniline
CID 60813678
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
CID 75382154
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
CID 70731032
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride (CID 119896331) is 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride is CCCCn1ccnc1-c1cccc(NC(=O)CCN)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride?
The InChIKey is YEOFQPRIBFFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-2-3-10-20-11-9-18-16(20)13-5-4-6-14(12-13)19-15(21)7-8-17;;/h4-6,9,11-12H,2-3,7-8,10,17H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride?
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119896331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).