N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide

C19H26N4O2 — CID 75382154

IUPACN-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
SMILESCCCCn1ccnc1-c1cccc(NC(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C19H26N4O2/c1-3-4-9-23-10-8-20-18(23)15-6-5-7-16(13-15)21-19(24)17-14-22(2)11-12-25-17/h5-8,10,13,17H,3-4,9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyLRLIPNSNFOFBTG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds6

About N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide

N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide (PubChem CID 75382154) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
PubChem CID75382154
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
SMILESCCCCn1ccnc1-c1cccc(NC(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C19H26N4O2/c1-3-4-9-23-10-8-20-18(23)15-6-5-7-16(13-15)21-19(24)17-14-22(2)11-12-25-17/h5-8,10,13,17H,3-4,9,11-12,14H2,1-2H3,(H,21,24)
InChIKeyLRLIPNSNFOFBTG-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119896317
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-(1-butylimidazol-2-yl)aniline
CID 60813678
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
N-(3-bromo-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 71973219
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
(2R)-4-methyl-N-[[2-[[(2S)-4-methylmorpholine-2-carbonyl]amino]-4-pyridinyl]methyl]morpholine-2-carboxamide
CID 97353215
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide (CID 75382154) is N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide is CCCCn1ccnc1-c1cccc(NC(=O)C2CN(C)CCO2)c1.
What is the InChIKey of N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is LRLIPNSNFOFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-4-9-23-10-8-20-18(23)15-6-5-7-16(13-15)21-19(24)17-14-22(2)11-12-25-17/h5-8,10,13,17H,3-4,9,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide?
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75382154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).