N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide

C14H31N3O — CID 60672606

IUPACN-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
SMILESCCCCNC(=O)CNCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-7-8-16-14(18)11-15-9-10-17(12(2)3)13(4)5/h12-13,15H,6-11H2,1-5H3,(H,16,18)
InChIKeyYHHYYRLJWNPIFL-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.61
Rot. Bonds10

About N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide

N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide (PubChem CID 60672606) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
PubChem CID60672606
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
SMILESCCCCNC(=O)CNCCN(C(C)C)C(C)C
InChIInChI=1S/C14H31N3O/c1-6-7-8-16-14(18)11-15-9-10-17(12(2)3)13(4)5/h12-13,15H,6-11H2,1-5H3,(H,16,18)
InChIKeyYHHYYRLJWNPIFL-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
CID 87733157
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
CID 79282466
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-pentyl-2-(pentylamino)acetamide
CID 109005932
1-[2-[di(propan-2-yl)amino]ethyl]-3-pentylurea
CID 4984668
N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 28568651
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
6-[[2-(butylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289945
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide?
The IUPAC name of N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide (CID 60672606) is N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide is CCCCNC(=O)CNCCN(C(C)C)C(C)C.
What is the InChIKey of N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide?
The InChIKey is YHHYYRLJWNPIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-7-8-16-14(18)11-15-9-10-17(12(2)3)13(4)5/h12-13,15H,6-11H2,1-5H3,(H,16,18).
What are the key properties of N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide?
N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide has a molecular weight of 257.42 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide is sourced from PubChem (CID 60672606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).