N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide

C19H23N3O3 — CID 122150574

IUPACN-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cc(C)ccc1OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-8-9-18(25-13-16-6-4-3-5-7-16)17(12-14)22-19(24)21-11-10-20-15(2)23/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyGIKILEJXMGFICE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide

N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide (PubChem CID 122150574) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
PubChem CID122150574
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cc(C)ccc1OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-8-9-18(25-13-16-6-4-3-5-7-16)17(12-14)22-19(24)21-11-10-20-15(2)23/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyGIKILEJXMGFICE-UHFFFAOYSA-N
XLogP2.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-[3-[[(4-methyl-2-phenylmethoxyphenyl)carbamoylamino]methyl]phenyl]acetamide
CID 55835052
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 55835183
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
1-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]-3-methylurea
CID 21435486
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide (CID 122150574) is N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1cc(C)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide?
The InChIKey is GIKILEJXMGFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-8-9-18(25-13-16-6-4-3-5-7-16)17(12-14)22-19(24)21-11-10-20-15(2)23/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide?
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 122150574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).