N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide

C16H21NO — CID 99837862

IUPACN,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
SMILESC#CCC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-6-12-16(3,4)15(18)17(5)13(2)14-10-8-7-9-11-14/h1,7-11,13H,12H2,2-5H3/t13-/m1/s1
InChIKeyLSUMUKVSXVYSAM-CYBMUJFWSA-N
MW243.35 g/mol
LogP3.26
Rot. Bonds4

About N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide

N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide (PubChem CID 99837862) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
PubChem CID99837862
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
SMILESC#CCC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-6-12-16(3,4)15(18)17(5)13(2)14-10-8-7-9-11-14/h1,7-11,13H,12H2,2-5H3/t13-/m1/s1
InChIKeyLSUMUKVSXVYSAM-CYBMUJFWSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
CID 119036959
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 63681333
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
1-O-tert-butyl 3-O-[(1R)-1-phenylethyl] (2S)-2-methyl-2-prop-2-ynylpropanedioate
CID 71723933
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
2-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238276

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide?
The IUPAC name of N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide (CID 99837862) is N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide?
The canonical SMILES for N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide is C#CCC(C)(C)C(=O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide?
The InChIKey is LSUMUKVSXVYSAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO/c1-6-12-16(3,4)15(18)17(5)13(2)14-10-8-7-9-11-14/h1,7-11,13H,12H2,2-5H3/t13-/m1/s1.
What are the key properties of N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide?
N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide has a molecular weight of 243.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide is sourced from PubChem (CID 99837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).