N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide

C21H27N3O3 — CID 3810433

IUPACN-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-15(2)17-8-10-18(11-9-17)24-21(26)22-12-5-13-27-20-7-4-6-19(14-20)23-16(3)25/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyICVYESVLSFZYIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.36
Rot. Bonds8

About N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide

N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide (PubChem CID 3810433) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
PubChem CID3810433
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-15(2)17-8-10-18(11-9-17)24-21(26)22-12-5-13-27-20-7-4-6-19(14-20)23-16(3)25/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyICVYESVLSFZYIO-UHFFFAOYSA-N
XLogP4.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.36
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-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
N-[3-[3-[(3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719601
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
N-[3-[3-[(4-bromo-3-chlorophenyl)carbamothioylamino]propoxy]phenyl]acetamide
CID 3719622

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide (CID 3810433) is N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCNC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide?
The InChIKey is ICVYESVLSFZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)17-8-10-18(11-9-17)24-21(26)22-12-5-13-27-20-7-4-6-19(14-20)23-16(3)25/h4,6-11,14-15H,5,12-13H2,1-3H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide?
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide is sourced from PubChem (CID 3810433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).