2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide

C18H29N3O3 — CID 166261569

IUPAC2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@H]1CNC[C@H]1O
InChIInChI=1S/C18H29N3O3/c22-15-9-19-8-14(15)21-17(24)10-20-16(23)7-18-4-11-1-12(5-18)3-13(2-11)6-18/h11-15,19,22H,1-10H2,(H,20,23)(H,21,24)/t11?,12?,13?,14-,15+,18?/m0/s1
InChIKeyXSANYNMCLJGDPD-JKGMGYAYSA-N
MW335.45 g/mol
LogP0.16
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide (PubChem CID 166261569) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
PubChem CID166261569
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@H]1CNC[C@H]1O
InChIInChI=1S/C18H29N3O3/c22-15-9-19-8-14(15)21-17(24)10-20-16(23)7-18-4-11-1-12(5-18)3-13(2-11)6-18/h11-15,19,22H,1-10H2,(H,20,23)(H,21,24)/t11?,12?,13?,14-,15+,18?/m0/s1
InChIKeyXSANYNMCLJGDPD-JKGMGYAYSA-N
XLogP0.16
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
CID 119477047
2-(1-adamantyl)-N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]acetamide
CID 111661333
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
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2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
2-(1-adamantyl)-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]acetamide
CID 133118988
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide (CID 166261569) is 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N[C@H]1CNC[C@H]1O.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is XSANYNMCLJGDPD-JKGMGYAYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-15-9-19-8-14(15)21-17(24)10-20-16(23)7-18-4-11-1-12(5-18)3-13(2-11)6-18/h11-15,19,22H,1-10H2,(H,20,23)(H,21,24)/t11?,12?,13?,14-,15+,18?/m0/s1.
What are the key properties of 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 166261569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).