N-(1-adamantyl)-4-(propan-2-ylamino)butanamide

C17H30N2O — CID 60851272

IUPACN-(1-adamantyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-12(2)18-5-3-4-16(20)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyPSWHXTKZWACXKA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds6

About N-(1-adamantyl)-4-(propan-2-ylamino)butanamide

N-(1-adamantyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60851272) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(propan-2-ylamino)butanamide
PubChem CID60851272
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(1-adamantyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-12(2)18-5-3-4-16(20)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyPSWHXTKZWACXKA-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60852695
N-(1-adamantyl)hexanamide
CID 4687392
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
N-(1-adamantyl)-3-(ethylamino)butanamide
CID 62838414
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N'-[3-(1-adamantylamino)-3-oxopropyl]-N-[3-(dimethylamino)propyl]butanediamide
CID 23252450
(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
CID 7321356
ethyl N-[3-(1-adamantylamino)-3-oxopropyl]carbamate
CID 38404709
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-adamantyl)-4-(propan-2-ylamino)butanamide (CID 60851272) is N-(1-adamantyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-adamantyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-adamantyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is PSWHXTKZWACXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)18-5-3-4-16(20)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15,18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of N-(1-adamantyl)-4-(propan-2-ylamino)butanamide?
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 278.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60851272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).