N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide

C15H24N2O — CID 103822680

IUPACN-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(18)16-11-12-17-15(2,3)10-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3,(H,16,18)
InChIKeyYHVXZZOKRRLRBM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds7

About N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide

N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide (PubChem CID 103822680) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
PubChem CID103822680
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(18)16-11-12-17-15(2,3)10-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3,(H,16,18)
InChIKeyYHVXZZOKRRLRBM-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
CID 102595123
N-(cyclopropylmethyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]acetamide
CID 115673265

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide (CID 103822680) is N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide is CC(=O)NCCNC(C)(C)CCc1ccccc1.
What is the InChIKey of N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide?
The InChIKey is YHVXZZOKRRLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(18)16-11-12-17-15(2,3)10-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide?
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 103822680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).