N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide

C22H29N3O — CID 22417241

IUPACN-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(N)(Cc1c[nH]c2ccccc12)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H29N3O/c1-22(23,11-17-12-24-19-5-3-2-4-18(17)19)21(26)25-20-15-7-13-6-14(9-15)10-16(20)8-13/h2-5,12-16,20,24H,6-11,23H2,1H3,(H,25,26)
InChIKeyMXJPSPNCDGNEKP-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.37
Rot. Bonds4

About N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide

N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 22417241) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID22417241
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(N)(Cc1c[nH]c2ccccc12)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H29N3O/c1-22(23,11-17-12-24-19-5-3-2-4-18(17)19)21(26)25-20-15-7-13-6-14(9-15)10-16(20)8-13/h2-5,12-16,20,24H,6-11,23H2,1H3,(H,25,26)
InChIKeyMXJPSPNCDGNEKP-UHFFFAOYSA-N
XLogP3.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
tert-butyl N-[(2S)-1-[[(2R)-1-(2-adamantylamino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 67820080
[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-(2-adamantyl)carbamate
CID 54364595
(2R)-2-amino-N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 67892234
(2R)-2-amino-N-(furan-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 124638519
4-[[(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 67671736
2-adamantyl N-[(2R)-1-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 10791209
2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetic acid
CID 18338541
methyl (2S)-2-amino-2-(deuteriomethyl)-3-(1H-indol-3-yl)propanoate
CID 57296369
4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 18386748
2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate
CID 15754546
2-adamantyl N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 86747493

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide (CID 22417241) is N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide is CC(N)(Cc1c[nH]c2ccccc12)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is MXJPSPNCDGNEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-22(23,11-17-12-24-19-5-3-2-4-18(17)19)21(26)25-20-15-7-13-6-14(9-15)10-16(20)8-13/h2-5,12-16,20,24H,6-11,23H2,1H3,(H,25,26).
What are the key properties of N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide?
N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-amino-3-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 22417241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).