N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide

C16H26N2O3 — CID 7858349

IUPACN-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCO
InChIInChI=1S/C16H26N2O3/c1-10(14(20)17-2-3-19)18-15(21)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,19H,2-9H2,1H3,(H,17,20)(H,18,21)/t10-,11?,12?,13?,16?/m0/s1
InChIKeyAIYWRDXOYBRVAV-HXTFMFRQSA-N
MW294.39 g/mol
LogP0.82
Rot. Bonds5

About N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 7858349) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID7858349
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCO
InChIInChI=1S/C16H26N2O3/c1-10(14(20)17-2-3-19)18-15(21)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,19H,2-9H2,1H3,(H,17,20)(H,18,21)/t10-,11?,12?,13?,16?/m0/s1
InChIKeyAIYWRDXOYBRVAV-HXTFMFRQSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 7858349) is N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCO.
What is the InChIKey of N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is AIYWRDXOYBRVAV-HXTFMFRQSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(14(20)17-2-3-19)18-15(21)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,19H,2-9H2,1H3,(H,17,20)(H,18,21)/t10-,11?,12?,13?,16?/m0/s1.
What are the key properties of N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 7858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).