N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide

C17H28N2O — CID 61259809

IUPACN-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(3-4-18-15-1-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,1-11H2,(H,19,20)
InChIKeyNSEHTAIJCFEQIH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.46
Rot. Bonds6

About N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide

N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide (PubChem CID 61259809) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
PubChem CID61259809
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O/c20-16(3-4-18-15-1-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,1-11H2,(H,19,20)
InChIKeyNSEHTAIJCFEQIH-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-4-hydroxybutanamide
CID 79205151
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475
3-(cyclopropylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120119
2-[2-[2-[4-(1-adamantylmethylamino)-4-oxobutanoyl]oxyethoxy]ethoxy]ethyl 4-(1-adamantylmethylamino)-4-oxobutanoate
CID 123176729
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide
CID 61275861
N-(1-adamantylmethyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25362197
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
CID 7071750
N-(1-adamantylmethyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26866780
N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583065
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide (CID 61259809) is N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide?
The InChIKey is NSEHTAIJCFEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(3-4-18-15-1-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15,18H,1-11H2,(H,19,20).
What are the key properties of N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide?
N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 61259809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).