N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide

C19H33NO — CID 123999702

IUPACN-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(C(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-12(2)17(18(4,5)20-13(3)21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-17H,6-11H2,1-5H3,(H,20,21)
InChIKeyUASTWQSSZAKVEQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.39
Rot. Bonds4

About N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide

N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide (PubChem CID 123999702) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide
PubChem CID123999702
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C(C(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-12(2)17(18(4,5)20-13(3)21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-17H,6-11H2,1-5H3,(H,20,21)
InChIKeyUASTWQSSZAKVEQ-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Acetamidoadamantane
CID 64153
N-(3,5-dimethyl-1-adamantyl)acetamide
CID 5276209
Dodecanoic acid adamantan-1-ylamide
CID 5071820
N-(adamantan-1-yl)-2,2-dimethylpropanamide
CID 4271592
N-(1-adamantyl)-2-ethylbutanamide
CID 2897926
Cambridge id 5346749
CID 2842691
Valeramide, N-(1-adamantyl)-
CID 64157
N-(3,5,7-trimethyladamantan-1-yl)acetamide
CID 2802835
N-tert-butyladamantane-1-carboxamide
CID 2836044
N-(adamantan-1-yl)propanamide
CID 3675021
Propanamide, N-(tricyclo(3.3.1.1(sup 3,7))dec-1-yl)-3-(trimethylgermyl)-
CID 64582
Acetamide, N,N'-(1,1'-bitricyclo(3.3.1.1(sup 3,7)decane)-3,3'-diylbis-
CID 205606

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide?
The IUPAC name of N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide (CID 123999702) is N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide?
The canonical SMILES for N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide is CC(=O)NC(C)(C)C(C(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide?
The InChIKey is UASTWQSSZAKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-12(2)17(18(4,5)20-13(3)21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-17H,6-11H2,1-5H3,(H,20,21).
What are the key properties of N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide?
N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide has a molecular weight of 291.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-adamantyl)-2,4-dimethylpentan-2-yl]acetamide is sourced from PubChem (CID 123999702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).