N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide

C24H32N2O — CID 141403014

IUPACN-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(CC(c1ccccc1)N(CC)CC)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-5-23(27)25-19-24(4,21-16-12-9-13-17-21)18-22(26(6-2)7-3)20-14-10-8-11-15-20/h5,8-17,22H,1,6-7,18-19H2,2-4H3,(H,25,27)
InChIKeyTZGSAKCRLYCOFO-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.72
Rot. Bonds10

About N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide

N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide (PubChem CID 141403014) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide
PubChem CID141403014
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(CC(c1ccccc1)N(CC)CC)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-5-23(27)25-19-24(4,21-16-12-9-13-17-21)18-22(26(6-2)7-3)20-14-10-8-11-15-20/h5,8-17,22H,1,6-7,18-19H2,2-4H3,(H,25,27)
InChIKeyTZGSAKCRLYCOFO-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide
CID 146097720
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8798590
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981969

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide?
The IUPAC name of N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide (CID 141403014) is N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide?
The canonical SMILES for N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide is C=CC(=O)NCC(C)(CC(c1ccccc1)N(CC)CC)c1ccccc1.
What is the InChIKey of N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide?
The InChIKey is TZGSAKCRLYCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-5-23(27)25-19-24(4,21-16-12-9-13-17-21)18-22(26(6-2)7-3)20-14-10-8-11-15-20/h5,8-17,22H,1,6-7,18-19H2,2-4H3,(H,25,27).
What are the key properties of N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide?
N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide has a molecular weight of 364.53 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide is sourced from PubChem (CID 141403014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).