[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea

C15H23N3O3 — CID 99619252

IUPAC[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
SMILESCc1ccc([C@@H]2CCCCCN2C(=O)CCNC(N)=O)o1
InChIInChI=1S/C15H23N3O3/c1-11-6-7-13(21-11)12-5-3-2-4-10-18(12)14(19)8-9-17-15(16)20/h6-7,12H,2-5,8-10H2,1H3,(H3,16,17,20)/t12-/m0/s1
InChIKeyFHKGXJROEFADIS-LBPRGKRZSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds4

About [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea

[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea (PubChem CID 99619252) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
PubChem CID99619252
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
SMILESCc1ccc([C@@H]2CCCCCN2C(=O)CCNC(N)=O)o1
InChIInChI=1S/C15H23N3O3/c1-11-6-7-13(21-11)12-5-3-2-4-10-18(12)14(19)8-9-17-15(16)20/h6-7,12H,2-5,8-10H2,1H3,(H3,16,17,20)/t12-/m0/s1
InChIKeyFHKGXJROEFADIS-LBPRGKRZSA-N
XLogP2.09
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95981062
1-(4-fluorophenyl)-4-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 154748747
N-[3-[(2R,4R)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166411128
methyl N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]carbamate
CID 95310586
N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 96568744
4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 95773818
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
bis[2-(5-methylfuran-2-yl)pyrrolidin-1-yl] oxalate
CID 66856340
4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
CID 111436491
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea (CID 99619252) is [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea is Cc1ccc([C@@H]2CCCCCN2C(=O)CCNC(N)=O)o1.
What is the InChIKey of [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea?
The InChIKey is FHKGXJROEFADIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-6-7-13(21-11)12-5-3-2-4-10-18(12)14(19)8-9-17-15(16)20/h6-7,12H,2-5,8-10H2,1H3,(H3,16,17,20)/t12-/m0/s1.
What are the key properties of [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea?
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea has a molecular weight of 293.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 99619252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).