1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea

C15H24N4O4 — CID 173326018

IUPAC1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea
SMILESCCC(c1ccccc1)(N(CCO)C(N)=O)N(CCO)C(N)=O
InChIInChI=1S/C15H24N4O4/c1-2-15(12-6-4-3-5-7-12,18(8-10-20)13(16)22)19(9-11-21)14(17)23/h3-7,20-21H,2,8-11H2,1H3,(H2,16,22)(H2,17,23)
InChIKeyVKKBLCRECDYLOP-UHFFFAOYSA-N
MW324.38 g/mol
LogP-0.00
Rot. Bonds8

About 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea

1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea (PubChem CID 173326018) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea
PubChem CID173326018
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea
SMILESCCC(c1ccccc1)(N(CCO)C(N)=O)N(CCO)C(N)=O
InChIInChI=1S/C15H24N4O4/c1-2-15(12-6-4-3-5-7-12,18(8-10-20)13(16)22)19(9-11-21)14(17)23/h3-7,20-21H,2,8-11H2,1H3,(H2,16,22)(H2,17,23)
InChIKeyVKKBLCRECDYLOP-UHFFFAOYSA-N
XLogP-0.00
TPSA133.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxyethyl)-2-phenyl-N-propylpropanamide
CID 62487886
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
4-amino-4-phenylhexan-3-one
CID 67459117
CID 6328820
CID 6328820
3,3-diphenylpentanediamide
CID 141227643
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
1-(2-hydroxyethyl)-1-(2-methylphenyl)urea
CID 14685232
benzyl (3S)-3-amino-2-oxo-3-phenylpentanoate
CID 174345690

Frequently Asked Questions

What is the IUPAC name of 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea (CID 173326018) is 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea is CCC(c1ccccc1)(N(CCO)C(N)=O)N(CCO)C(N)=O.
What is the InChIKey of 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea?
The InChIKey is VKKBLCRECDYLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-2-15(12-6-4-3-5-7-12,18(8-10-20)13(16)22)19(9-11-21)14(17)23/h3-7,20-21H,2,8-11H2,1H3,(H2,16,22)(H2,17,23).
What are the key properties of 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea?
1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea has a molecular weight of 324.38 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 173326018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).