6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide

C18H30N2O — CID 22633579

IUPAC6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCN
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-8-10-16(14(3)4)18(15)20-17(21)11-6-5-7-12-19/h8-10,13-14H,5-7,11-12,19H2,1-4H3,(H,20,21)
InChIKeySXKFWHJTQDQSBA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.39
Rot. Bonds8

About 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide

6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide (PubChem CID 22633579) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
PubChem CID22633579
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCN
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-8-10-16(14(3)4)18(15)20-17(21)11-6-5-7-12-19/h8-10,13-14H,5-7,11-12,19H2,1-4H3,(H,20,21)
InChIKeySXKFWHJTQDQSBA-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.39
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

(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-[2,6-di(propan-2-yl)phenyl]-4-tetradecylsulfanylbutanamide
CID 19002325
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
4-(4-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide (CID 22633579) is 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide?
The InChIKey is SXKFWHJTQDQSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)15-9-8-10-16(14(3)4)18(15)20-17(21)11-6-5-7-12-19/h8-10,13-14H,5-7,11-12,19H2,1-4H3,(H,20,21).
What are the key properties of 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide?
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide has a molecular weight of 290.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide is sourced from PubChem (CID 22633579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).