N-(1-adamantyl)-3-(2-methylanilino)propanamide

C20H28N2O — CID 37248010

IUPACN-(1-adamantyl)-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c1-14-4-2-3-5-18(14)21-7-6-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17,21H,6-13H2,1H3,(H,22,23)
InChIKeyHHNPGMNUTQMFTL-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.88
Rot. Bonds5

About N-(1-adamantyl)-3-(2-methylanilino)propanamide

N-(1-adamantyl)-3-(2-methylanilino)propanamide (PubChem CID 37248010) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(2-methylanilino)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(2-methylanilino)propanamide
PubChem CID37248010
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-(1-adamantyl)-3-(2-methylanilino)propanamide
SMILESCc1ccccc1NCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c1-14-4-2-3-5-18(14)21-7-6-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17,21H,6-13H2,1H3,(H,22,23)
InChIKeyHHNPGMNUTQMFTL-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 4009443
N-(2-methylphenyl)adamantan-1-amine
CID 68755177
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,5-dimethylphenyl)benzamide
CID 26909435
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
methyl 3-(2-methylanilino)propanoate
CID 12805940
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
CID 55780167
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(2-methylanilino)propanamide?
The IUPAC name of N-(1-adamantyl)-3-(2-methylanilino)propanamide (CID 37248010) is N-(1-adamantyl)-3-(2-methylanilino)propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-(2-methylanilino)propanamide?
The canonical SMILES for N-(1-adamantyl)-3-(2-methylanilino)propanamide is Cc1ccccc1NCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-(2-methylanilino)propanamide?
The InChIKey is HHNPGMNUTQMFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14-4-2-3-5-18(14)21-7-6-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-5,15-17,21H,6-13H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantyl)-3-(2-methylanilino)propanamide?
N-(1-adamantyl)-3-(2-methylanilino)propanamide has a molecular weight of 312.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(2-methylanilino)propanamide is sourced from PubChem (CID 37248010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).