N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide

C19H32N4O — CID 111694390

IUPACN-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC(CC)(CC)c1ccccc1)NCCNC(C)=O
InChIInChI=1S/C19H32N4O/c1-5-19(6-2,17-11-9-8-10-12-17)15-23-18(20-7-3)22-14-13-21-16(4)24/h8-12H,5-7,13-15H2,1-4H3,(H,21,24)(H2,20,22,23)
InChIKeyQUTTWTGSYDHNCU-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.44
Rot. Bonds9

About N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide

N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide (PubChem CID 111694390) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide
PubChem CID111694390
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC(CC)(CC)c1ccccc1)NCCNC(C)=O
InChIInChI=1S/C19H32N4O/c1-5-19(6-2,17-11-9-8-10-12-17)15-23-18(20-7-3)22-14-13-21-16(4)24/h8-12H,5-7,13-15H2,1-4H3,(H,21,24)(H2,20,22,23)
InChIKeyQUTTWTGSYDHNCU-UHFFFAOYSA-N
XLogP2.44
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-ethyl-2-phenylbutyl)-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111988200
1-ethyl-2-(2-ethyl-2-phenylbutyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111500069
1-[4-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111694397
N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 109417678
N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111268302
tert-butyl N-[2-[[N-ethyl-N'-(2-hydroxy-2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109418313
1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 111335969
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-propylguanidine;hydroiodide
CID 111225902
N-[2-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111899999
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948730
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-[2-[[N-ethyl-N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111690518

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide (CID 111694390) is N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\CC(CC)(CC)c1ccccc1)NCCNC(C)=O.
What is the InChIKey of N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is QUTTWTGSYDHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-19(6-2,17-11-9-8-10-12-17)15-23-18(20-7-3)22-14-13-21-16(4)24/h8-12H,5-7,13-15H2,1-4H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide?
N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111694390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).