N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide

C18H31N3O2 — CID 84873517

IUPACN-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c1-3-11(2)15(21-17(19)23)16(22)20-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,3-10H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyWJBCQMDLVYRTEV-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.40
Rot. Bonds6

About N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide

N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide (PubChem CID 84873517) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
PubChem CID84873517
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c1-3-11(2)15(21-17(19)23)16(22)20-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,3-10H2,1-2H3,(H,20,22)(H3,19,21,23)
InChIKeyWJBCQMDLVYRTEV-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65120019
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-(carbamoylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpentanamide
CID 107330119
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
N-[1-(1-adamantylmethylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013927
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
methyl (2S)-2-[[(2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoate
CID 22216511

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide (CID 84873517) is N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide?
The InChIKey is WJBCQMDLVYRTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-3-11(2)15(21-17(19)23)16(22)20-10-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,3-10H2,1-2H3,(H,20,22)(H3,19,21,23).
What are the key properties of N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide?
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide has a molecular weight of 321.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide is sourced from PubChem (CID 84873517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).