1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea

C14H20N2O2 — CID 47764323

IUPAC1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
SMILESCCC(CO)NC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-11(9-17)15-14(18)16-13-8-12(13)10-6-4-3-5-7-10/h3-7,11-13,17H,2,8-9H2,1H3,(H2,15,16,18)
InChIKeyPEDQPXJERQWKTQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds5

About 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea

1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea (PubChem CID 47764323) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
PubChem CID47764323
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
SMILESCCC(CO)NC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-11(9-17)15-14(18)16-13-8-12(13)10-6-4-3-5-7-10/h3-7,11-13,17H,2,8-9H2,1H3,(H2,15,16,18)
InChIKeyPEDQPXJERQWKTQ-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
N-cyano-N-ethyl-3-naphthalen-2-yl-2-[(2-phenylcyclopropyl)carbamoylamino]propanamide
CID 87927831
1-[(2R)-1-methoxybutan-2-yl]-3-(3-phenylcyclobutyl)urea
CID 125140738
3-[ethyl-[(2-phenylcyclopropyl)carbamoyl]amino]butanoic acid
CID 62826816

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea (CID 47764323) is 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea is CCC(CO)NC(=O)NC1CC1c1ccccc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is PEDQPXJERQWKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11(9-17)15-14(18)16-13-8-12(13)10-6-4-3-5-7-10/h3-7,11-13,17H,2,8-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea?
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 47764323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).