2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

C17H34N4O2 — CID 119844101

IUPAC2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-5-20(6-2)16(22)13-19-8-7-9-21(11-10-19)17(23)15(18)12-14(3)4/h14-15H,5-13,18H2,1-4H3/t15-/m0/s1
InChIKeyGKVKHXJGMSQKEE-HNNXBMFYSA-N
MW326.49 g/mol
LogP0.76
Rot. Bonds7

About 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (PubChem CID 119844101) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
PubChem CID119844101
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-5-20(6-2)16(22)13-19-8-7-9-21(11-10-19)17(23)15(18)12-14(3)4/h14-15H,5-13,18H2,1-4H3/t15-/m0/s1
InChIKeyGKVKHXJGMSQKEE-HNNXBMFYSA-N
XLogP0.76
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (CID 119844101) is 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The InChIKey is GKVKHXJGMSQKEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-5-20(6-2)16(22)13-19-8-7-9-21(11-10-19)17(23)15(18)12-14(3)4/h14-15H,5-13,18H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide has a molecular weight of 326.49 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 119844101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).