(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide

C22H31N3O2 — CID 9346080

IUPAC(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1
InChIInChI=1S/C22H31N3O2/c1-15(25(2)14-16-6-4-3-5-7-16)20(26)23-21(27)24-22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,15,17-19H,8-14H2,1-2H3,(H2,23,24,26,27)/t15-,17?,18?,19?,22?/m1/s1
InChIKeyDDLFYDQCNLLDSV-VZLUNSFSSA-N
MW369.51 g/mol
LogP3.30
Rot. Bonds5

About (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide

(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide (PubChem CID 9346080) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
PubChem CID9346080
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1
InChIInChI=1S/C22H31N3O2/c1-15(25(2)14-16-6-4-3-5-7-16)20(26)23-21(27)24-22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,15,17-19H,8-14H2,1-2H3,(H2,23,24,26,27)/t15-,17?,18?,19?,22?/m1/s1
InChIKeyDDLFYDQCNLLDSV-VZLUNSFSSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9348849
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
(2S)-N-(1-adamantylcarbamoyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9345957
(2R)-N-(1-adamantylcarbamoyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9345960
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9347931
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 9347687
N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
CID 55431922

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide?
The IUPAC name of (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide (CID 9346080) is (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide?
The canonical SMILES for (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide is C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide?
The InChIKey is DDLFYDQCNLLDSV-VZLUNSFSSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(25(2)14-16-6-4-3-5-7-16)20(26)23-21(27)24-22-11-17-8-18(12-22)10-19(9-17)13-22/h3-7,15,17-19H,8-14H2,1-2H3,(H2,23,24,26,27)/t15-,17?,18?,19?,22?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide?
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide is sourced from PubChem (CID 9346080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).