1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea

C14H16N2O3 — CID 62700814

IUPAC1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
SMILESCOc1ccc(C#CCO)cc1NC(=O)NC1CC1
InChIInChI=1S/C14H16N2O3/c1-19-13-7-4-10(3-2-8-17)9-12(13)16-14(18)15-11-5-6-11/h4,7,9,11,17H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyDSAMQJOLLVGUML-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.32
Rot. Bonds3

About 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea

1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea (PubChem CID 62700814) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
PubChem CID62700814
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
SMILESCOc1ccc(C#CCO)cc1NC(=O)NC1CC1
InChIInChI=1S/C14H16N2O3/c1-19-13-7-4-10(3-2-8-17)9-12(13)16-14(18)15-11-5-6-11/h4,7,9,11,17H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyDSAMQJOLLVGUML-UHFFFAOYSA-N
XLogP1.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
CID 114875807
cis-methyl (1S,3R)-3-[(5-cyano-2-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 122148663
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
methyl N-[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]carbamate
CID 54966436
3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811863
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893
1-cyclobutyl-3-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]urea
CID 116658735

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea (CID 62700814) is 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea is COc1ccc(C#CCO)cc1NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea?
The InChIKey is DSAMQJOLLVGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-13-7-4-10(3-2-8-17)9-12(13)16-14(18)15-11-5-6-11/h4,7,9,11,17H,5-6,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea?
1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea has a molecular weight of 260.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea is sourced from PubChem (CID 62700814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).