N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide

C13H25N3O2 — CID 61248306

IUPACN-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CNC1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)13(18)15-8-7-14-12(17)9-16-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyDGXJFDYCCUULOI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds7

About N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 61248306) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID61248306
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CNC1CCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)13(18)15-8-7-14-12(17)9-16-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyDGXJFDYCCUULOI-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
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-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
2-(cyclopentylamino)-N-(3-methylsulfonylpropyl)acetamide
CID 54904868
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide (CID 61248306) is N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CNC1CCCC1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is DGXJFDYCCUULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)13(18)15-8-7-14-12(17)9-16-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 61248306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).