2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide

C14H31N3O2 — CID 81081228

IUPAC2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)17(12(3)4)9-8-16-14(18)13(15)7-6-10-19-5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyDIHFVODUAVZICX-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.98
Rot. Bonds10

About 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide (PubChem CID 81081228) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
PubChem CID81081228
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)17(12(3)4)9-8-16-14(18)13(15)7-6-10-19-5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyDIHFVODUAVZICX-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide (CID 81081228) is 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide?
The InChIKey is DIHFVODUAVZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-11(2)17(12(3)4)9-8-16-14(18)13(15)7-6-10-19-5/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide?
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide has a molecular weight of 273.42 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81081228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).