3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea

C19H29N3O2 — CID 75388697

IUPAC3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
SMILESCC(Cc1ccc(O)cc1)N(C)C(=O)NC1CCN(CC2CC2)C1
InChIInChI=1S/C19H29N3O2/c1-14(11-15-5-7-18(23)8-6-15)21(2)19(24)20-17-9-10-22(13-17)12-16-3-4-16/h5-8,14,16-17,23H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyBKNAXIJPGRDNIS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.45
Rot. Bonds6

About 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea

3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 75388697) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
PubChem CID75388697
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
SMILESCC(Cc1ccc(O)cc1)N(C)C(=O)NC1CCN(CC2CC2)C1
InChIInChI=1S/C19H29N3O2/c1-14(11-15-5-7-18(23)8-6-15)21(2)19(24)20-17-9-10-22(13-17)12-16-3-4-16/h5-8,14,16-17,23H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyBKNAXIJPGRDNIS-UHFFFAOYSA-N
XLogP2.45
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea (CID 75388697) is 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea is CC(Cc1ccc(O)cc1)N(C)C(=O)NC1CCN(CC2CC2)C1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is BKNAXIJPGRDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(11-15-5-7-18(23)8-6-15)21(2)19(24)20-17-9-10-22(13-17)12-16-3-4-16/h5-8,14,16-17,23H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 331.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 75388697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).