3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea

C19H24N2O4 — CID 97043401

IUPAC3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
SMILESCCc1ccc(C(=O)c2ccc(NC(=O)N(C)CC[C@@H](C)O)cc2)o1
InChIInChI=1S/C19H24N2O4/c1-4-16-9-10-17(25-16)18(23)14-5-7-15(8-6-14)20-19(24)21(3)12-11-13(2)22/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyPQVUBFFJICCDCO-CYBMUJFWSA-N
MW344.41 g/mol
LogP3.31
Rot. Bonds7

About 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea

3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea (PubChem CID 97043401) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea.

Molecular Properties

Compound Name3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
PubChem CID97043401
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
SMILESCCc1ccc(C(=O)c2ccc(NC(=O)N(C)CC[C@@H](C)O)cc2)o1
InChIInChI=1S/C19H24N2O4/c1-4-16-9-10-17(25-16)18(23)14-5-7-15(8-6-14)20-19(24)21(3)12-11-13(2)22/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyPQVUBFFJICCDCO-CYBMUJFWSA-N
XLogP3.31
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
1-(3-hydroxybutyl)-1-methyl-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111579007
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
3-(3-bromo-4-methoxyphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 71857846
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
CID 114971031
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
1-[(3S)-3-hydroxybutyl]-1-methyl-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 97019573
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111578848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea?
The IUPAC name of 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea (CID 97043401) is 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea.
What is the SMILES notation for 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea?
The canonical SMILES for 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea is CCc1ccc(C(=O)c2ccc(NC(=O)N(C)CC[C@@H](C)O)cc2)o1.
What is the InChIKey of 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea?
The InChIKey is PQVUBFFJICCDCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-16-9-10-17(25-16)18(23)14-5-7-15(8-6-14)20-19(24)21(3)12-11-13(2)22/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea?
3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea has a molecular weight of 344.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethylfuran-2-carbonyl)phenyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea is sourced from PubChem (CID 97043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).