1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea

C19H23N3O2 — CID 152745163

IUPAC1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea
SMILES[H]/N=C(\CCCC)NC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-3-13-18(20)22-19(23)21-16-11-7-8-12-17(16)24-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H3,20,21,22,23)
InChIKeyYLQUDVOMXKZDQO-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.55
Rot. Bonds7

About 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea

1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea (PubChem CID 152745163) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea
PubChem CID152745163
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea
SMILES[H]/N=C(\CCCC)NC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-3-13-18(20)22-19(23)21-16-11-7-8-12-17(16)24-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H3,20,21,22,23)
InChIKeyYLQUDVOMXKZDQO-UHFFFAOYSA-N
XLogP4.55
TPSA74.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2-butoxyphenyl)urea
CID 17170447
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
5-bromo-2-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093697
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573

Frequently Asked Questions

What is the IUPAC name of 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea?
The IUPAC name of 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea (CID 152745163) is 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea is [H]/N=C(\CCCC)NC(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea?
The InChIKey is YLQUDVOMXKZDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-13-18(20)22-19(23)21-16-11-7-8-12-17(16)24-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H3,20,21,22,23).
What are the key properties of 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea?
1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea has a molecular weight of 325.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentanimidoyl-3-(2-phenylmethoxyphenyl)urea is sourced from PubChem (CID 152745163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).