1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea

C15H23N3O2 — CID 99823986

IUPAC1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@@H](C)c1ccncc1OC
InChIInChI=1S/C15H23N3O2/c1-6-18(10-11(2)3)15(19)17-12(4)13-7-8-16-9-14(13)20-5/h7-9,12H,2,6,10H2,1,3-5H3,(H,17,19)/t12-/m0/s1
InChIKeyNKJAHHWMFHBYHJ-LBPRGKRZSA-N
MW277.37 g/mol
LogP2.76
Rot. Bonds6

About 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea

1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea (PubChem CID 99823986) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea
PubChem CID99823986
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)N[C@@H](C)c1ccncc1OC
InChIInChI=1S/C15H23N3O2/c1-6-18(10-11(2)3)15(19)17-12(4)13-7-8-16-9-14(13)20-5/h7-9,12H,2,6,10H2,1,3-5H3,(H,17,19)/t12-/m0/s1
InChIKeyNKJAHHWMFHBYHJ-LBPRGKRZSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1-cyclopropylcyclopropyl)methyl]-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99829745
1-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99856958
1-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 99856964
5-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-N-methylpyridine-2,5-dicarboxamide
CID 99789189
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99825197
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
N'-ethyl-N-(2-methoxyphenyl)-N'-(2-methylprop-2-enyl)oxamide
CID 91650552
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289055
1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99826604
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea (CID 99823986) is 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccncc1OC.
What is the InChIKey of 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea?
The InChIKey is NKJAHHWMFHBYHJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-18(10-11(2)3)15(19)17-12(4)13-7-8-16-9-14(13)20-5/h7-9,12H,2,6,10H2,1,3-5H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea?
1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 99823986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).