N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide

C22H38N2O2 — CID 7740968

IUPACN-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
SMILESCC[C@@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@@H](C)CC)(C3)C2
InChIInChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)/t15-,16+,17?,18?,21?,22?
InChIKeyNPNUTFMKWBAEBC-CMXHAEJISA-N
MW362.56 g/mol
LogP4.18
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide

N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide (PubChem CID 7740968) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
PubChem CID7740968
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC NameN-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
SMILESCC[C@@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@@H](C)CC)(C3)C2
InChIInChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)/t15-,16+,17?,18?,21?,22?
InChIKeyNPNUTFMKWBAEBC-CMXHAEJISA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide with MolForge

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Related Compounds

2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
methyl 2-[[2-[3-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]-1-adamantyl]acetyl]amino]propanoate
CID 4303271
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
2-[(5R,7R)-3-bromo-1-adamantyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100818351
2-(3-bromo-1-adamantyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 60535177
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
CID 23376830
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
methyl (2S)-2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-3-methylbutanoate
CID 6560086
2-(3-bromo-1-adamantyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 60559230
2-(3-ethyl-1-adamantyl)acetic acid
CID 3855143

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide (CID 7740968) is N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide is CC[C@@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@@H](C)CC)(C3)C2.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide?
The InChIKey is NPNUTFMKWBAEBC-CMXHAEJISA-N. The full InChI is InChI=1S/C22H38N2O2/c1-5-15(3)23-19(25)12-21-8-17-7-18(9-21)11-22(10-17,14-21)13-20(26)24-16(4)6-2/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26)/t15-,16+,17?,18?,21?,22?.
What are the key properties of N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide?
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide has a molecular weight of 362.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide is sourced from PubChem (CID 7740968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).