N-(1-adamantyl)-3-(ethylamino)butanamide

C16H28N2O — CID 62838414

IUPACN-(1-adamantyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-17-11(2)4-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyDCJKTDVTMYBLLQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.46
Rot. Bonds5

About N-(1-adamantyl)-3-(ethylamino)butanamide

N-(1-adamantyl)-3-(ethylamino)butanamide (PubChem CID 62838414) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(ethylamino)butanamide
PubChem CID62838414
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-adamantyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-17-11(2)4-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyDCJKTDVTMYBLLQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
CID 7321356
N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
N-(1-adamantyl)hexanamide
CID 4687392
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
N-(1-adamantyl)nonanamide
CID 4685611
N,2-bis(1-adamantyl)acetamide
CID 3906383
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(1-adamantyl)-3-(ethylamino)butanamide (CID 62838414) is N-(1-adamantyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(1-adamantyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(1-adamantyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-(ethylamino)butanamide?
The InChIKey is DCJKTDVTMYBLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-17-11(2)4-15(19)18-16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-3-(ethylamino)butanamide?
N-(1-adamantyl)-3-(ethylamino)butanamide has a molecular weight of 264.41 g/mol, XLogP of 2.46, 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-(ethylamino)butanamide is sourced from PubChem (CID 62838414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).