1-(2-methoxyphenyl)propan-2-ylurea

C11H16N2O2 — CID 21433825

IUPAC1-(2-methoxyphenyl)propan-2-ylurea
SMILESCOc1ccccc1CC(C)NC(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(13-11(12)14)7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H3,12,13,14)
InChIKeyNQNKOPWUHUOAFK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-methoxyphenyl)propan-2-ylurea

1-(2-methoxyphenyl)propan-2-ylurea (PubChem CID 21433825) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)propan-2-ylurea
PubChem CID21433825
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-methoxyphenyl)propan-2-ylurea
SMILESCOc1ccccc1CC(C)NC(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(13-11(12)14)7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H3,12,13,14)
InChIKeyNQNKOPWUHUOAFK-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
CID 63307948
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)propan-2-ylurea?
The IUPAC name of 1-(2-methoxyphenyl)propan-2-ylurea (CID 21433825) is 1-(2-methoxyphenyl)propan-2-ylurea.
What is the SMILES notation for 1-(2-methoxyphenyl)propan-2-ylurea?
The canonical SMILES for 1-(2-methoxyphenyl)propan-2-ylurea is COc1ccccc1CC(C)NC(N)=O.
What is the InChIKey of 1-(2-methoxyphenyl)propan-2-ylurea?
The InChIKey is NQNKOPWUHUOAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(13-11(12)14)7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(2-methoxyphenyl)propan-2-ylurea?
1-(2-methoxyphenyl)propan-2-ylurea has a molecular weight of 208.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)propan-2-ylurea is sourced from PubChem (CID 21433825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).