1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea

C16H24N2O3 — CID 95772645

IUPAC1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C16H24N2O3/c1-12(11-21-2)17-16(20)18(9-13-6-7-13)10-14-4-3-5-15(19)8-14/h3-5,8,12-13,19H,6-7,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyCMPWIANLHINSFO-LBPRGKRZSA-N
MW292.38 g/mol
LogP2.35
Rot. Bonds7

About 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea

1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea (PubChem CID 95772645) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
PubChem CID95772645
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C16H24N2O3/c1-12(11-21-2)17-16(20)18(9-13-6-7-13)10-14-4-3-5-15(19)8-14/h3-5,8,12-13,19H,6-7,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyCMPWIANLHINSFO-LBPRGKRZSA-N
XLogP2.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
CID 119950843
[3-[[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 71956695
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71875848
methyl N-[(3-hydroxyphenyl)methyl]-N-(2-oxoethyl)carbamate
CID 89030323
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759574
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631505
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea (CID 95772645) is 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea is COC[C@H](C)NC(=O)N(Cc1cccc(O)c1)CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The InChIKey is CMPWIANLHINSFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(11-21-2)17-16(20)18(9-13-6-7-13)10-14-4-3-5-15(19)8-14/h3-5,8,12-13,19H,6-7,9-11H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95772645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).