1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea

C20H26N2O3 — CID 99997204

IUPAC1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCC[C@H](O)C1CCOCC1)NCc1cccc2ccccc12
InChIInChI=1S/C20H26N2O3/c23-19(16-9-12-25-13-10-16)8-11-21-20(24)22-14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,16,19,23H,8-14H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyLUGPQVWMHJTLBZ-IBGZPJMESA-N
MW342.44 g/mol
LogP2.82
Rot. Bonds6

About 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea

1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 99997204) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID99997204
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCC[C@H](O)C1CCOCC1)NCc1cccc2ccccc12
InChIInChI=1S/C20H26N2O3/c23-19(16-9-12-25-13-10-16)8-11-21-20(24)22-14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,16,19,23H,8-14H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyLUGPQVWMHJTLBZ-IBGZPJMESA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea (CID 99997204) is 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea is O=C(NCC[C@H](O)C1CCOCC1)NCc1cccc2ccccc12.
What is the InChIKey of 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is LUGPQVWMHJTLBZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19(16-9-12-25-13-10-16)8-11-21-20(24)22-14-17-6-3-5-15-4-1-2-7-18(15)17/h1-7,16,19,23H,8-14H2,(H2,21,22,24)/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea?
1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 99997204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).