1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea

C15H22N2O3 — CID 110907808

IUPAC1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(8-18)16-15(19)17-14-4-2-3-13(7-14)10-20-9-12-5-6-12/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H2,16,17,19)
InChIKeyYMMNHAQSBSJULJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.12
Rot. Bonds7

About 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110907808) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110907808
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C15H22N2O3/c1-11(8-18)16-15(19)17-14-4-2-3-13(7-14)10-20-9-12-5-6-12/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H2,16,17,19)
InChIKeyYMMNHAQSBSJULJ-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
2-[3-(1-cyclopropylpropan-2-ylcarbamoylamino)phenyl]acetic acid
CID 65350042
2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
CID 47079954
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 126773940
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
N-[3-(cyclopropylmethoxymethyl)phenyl]-5-ethyl-2-hydroxybenzamide
CID 56552661
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea (CID 110907808) is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is YMMNHAQSBSJULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(8-18)16-15(19)17-14-4-2-3-13(7-14)10-20-9-12-5-6-12/h2-4,7,11-12,18H,5-6,8-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea?
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110907808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).