(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C19H33N3O2 — CID 9049712

IUPAC(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N3O2/c1-12(2)20-17(23)11-22(4)13(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h12-16H,5-11H2,1-4H3,(H,20,23)(H,21,24)/t13-,14?,15?,16?,19?/m1/s1
InChIKeyYRPQLVPFGWDCKD-PGBRGIIUSA-N
MW335.49 g/mol
LogP1.92
Rot. Bonds6

About (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 9049712) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID9049712
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33N3O2/c1-12(2)20-17(23)11-22(4)13(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h12-16H,5-11H2,1-4H3,(H,20,23)(H,21,24)/t13-,14?,15?,16?,19?/m1/s1
InChIKeyYRPQLVPFGWDCKD-PGBRGIIUSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 75361457
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
(2R)-N-(1-cyanocyclohexyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050018
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049858
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
(2S)-N-(1-adamantyl)-2-[formyl(methyl)amino]-3-methylbutanamide
CID 134831249
2-[[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049698
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 9049712) is (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is CC(C)NC(=O)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is YRPQLVPFGWDCKD-PGBRGIIUSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-12(2)20-17(23)11-22(4)13(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h12-16H,5-11H2,1-4H3,(H,20,23)(H,21,24)/t13-,14?,15?,16?,19?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 335.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 9049712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).