7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide

C18H31N3O — CID 122080402

IUPAC7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
SMILESCC(C)c1ccc(C(N)CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C18H31N3O/c1-14(2)15-8-10-16(11-9-15)17(20)13-21-18(22)7-5-3-4-6-12-19/h8-11,14,17H,3-7,12-13,19-20H2,1-2H3,(H,21,22)
InChIKeyUCUAOSUVVHFBNF-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.84
Rot. Bonds10

About 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide

7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide (PubChem CID 122080402) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
PubChem CID122080402
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
SMILESCC(C)c1ccc(C(N)CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C18H31N3O/c1-14(2)15-8-10-16(11-9-15)17(20)13-21-18(22)7-5-3-4-6-12-19/h8-11,14,17H,3-7,12-13,19-20H2,1-2H3,(H,21,22)
InChIKeyUCUAOSUVVHFBNF-UHFFFAOYSA-N
XLogP2.84
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
CID 119527050
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide (CID 122080402) is 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide is CC(C)c1ccc(C(N)CNC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide?
The InChIKey is UCUAOSUVVHFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(2)15-8-10-16(11-9-15)17(20)13-21-18(22)7-5-3-4-6-12-19/h8-11,14,17H,3-7,12-13,19-20H2,1-2H3,(H,21,22).
What are the key properties of 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide?
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide has a molecular weight of 305.47 g/mol, XLogP of 2.84, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide is sourced from PubChem (CID 122080402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).