2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide

C22H32N2O — CID 7666250

IUPAC2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O/c1-3-15(2)19-4-6-20(7-5-19)24-21(25)14-23-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,15-18,23H,3,8-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyLBONMZZIEFHZFC-BZSISCHUSA-N
MW340.51 g/mol
LogP4.70
Rot. Bonds6

About 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide

2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 7666250) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID7666250
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O/c1-3-15(2)19-4-6-20(7-5-19)24-21(25)14-23-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,15-18,23H,3,8-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyLBONMZZIEFHZFC-BZSISCHUSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
2-(1-adamantylamino)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 9032634
1-(1-adamantylmethyl)-3-[4-[(2S)-butan-2-yl]phenyl]thiourea
CID 40621707
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
CID 112818363
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (CID 7666250) is 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccc(NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is LBONMZZIEFHZFC-BZSISCHUSA-N. The full InChI is InChI=1S/C22H32N2O/c1-3-15(2)19-4-6-20(7-5-19)24-21(25)14-23-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,15-18,23H,3,8-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1.
What are the key properties of 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7666250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).