N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide

C18H30N2O3 — CID 7410461

IUPACN-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(C)(C)CO
InChIInChI=1S/C18H30N2O3/c1-11(15(22)20-17(2,3)10-21)19-16(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-14,21H,4-10H2,1-3H3,(H,19,23)(H,20,22)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyJASXKTZKHISLEH-IWERZKIRSA-N
MW322.45 g/mol
LogP1.59
Rot. Bonds5

About N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 7410461) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID7410461
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(C)(C)CO
InChIInChI=1S/C18H30N2O3/c1-11(15(22)20-17(2,3)10-21)19-16(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-14,21H,4-10H2,1-3H3,(H,19,23)(H,20,22)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyJASXKTZKHISLEH-IWERZKIRSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 7410461) is N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide is C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC(C)(C)CO.
What is the InChIKey of N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is JASXKTZKHISLEH-IWERZKIRSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-11(15(22)20-17(2,3)10-21)19-16(23)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-14,21H,4-10H2,1-3H3,(H,19,23)(H,20,22)/t11-,12?,13?,14?,18?/m0/s1.
What are the key properties of N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 7410461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).