N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide

C16H27N3O2 — CID 95214689

IUPACN-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide
SMILESC[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(N)=O
InChIInChI=1S/C16H27N3O2/c1-10(19-14(20)9-18-15(17)21)5-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-13H,2-9H2,1H3,(H,19,20)(H3,17,18,21)/t10-,11?,12?,13?,16?/m1/s1
InChIKeyJBEWCFOASMPJBB-GYPVXTSCSA-N
MW293.41 g/mol
LogP1.77
Rot. Bonds5

About N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide

N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide (PubChem CID 95214689) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide
PubChem CID95214689
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide
SMILESC[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(N)=O
InChIInChI=1S/C16H27N3O2/c1-10(19-14(20)9-18-15(17)21)5-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-13H,2-9H2,1H3,(H,19,20)(H3,17,18,21)/t10-,11?,12?,13?,16?/m1/s1
InChIKeyJBEWCFOASMPJBB-GYPVXTSCSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
N-[1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 118766473
N-[(2R)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 125161089
N-[(2S)-1-(1-adamantyl)propan-2-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 125161090
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
methyl 2-[[3-(1-adamantylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carbonyl]amino]propanoate
CID 67687759
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide?
The IUPAC name of N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide (CID 95214689) is N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide.
What is the SMILES notation for N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide?
The canonical SMILES for N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide is C[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(N)=O.
What is the InChIKey of N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide?
The InChIKey is JBEWCFOASMPJBB-GYPVXTSCSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(19-14(20)9-18-15(17)21)5-16-6-11-2-12(7-16)4-13(3-11)8-16/h10-13H,2-9H2,1H3,(H,19,20)(H3,17,18,21)/t10-,11?,12?,13?,16?/m1/s1.
What are the key properties of N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide?
N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-adamantyl)propan-2-yl]-2-(carbamoylamino)acetamide is sourced from PubChem (CID 95214689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).