2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide

C13H26N4O2 — CID 54873506

IUPAC2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide
SMILESCCC(C)NCC(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-3-11(2)15-9-13(19)17-6-4-5-16(7-8-17)10-12(14)18/h11,15H,3-10H2,1-2H3,(H2,14,18)
InChIKeyXOAPTPVCRSQXTI-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.61
Rot. Bonds6

About 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide

2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 54873506) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide
PubChem CID54873506
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide
SMILESCCC(C)NCC(=O)N1CCCN(CC(N)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-3-11(2)15-9-13(19)17-6-4-5-16(7-8-17)10-12(14)18/h11,15H,3-10H2,1-2H3,(H2,14,18)
InChIKeyXOAPTPVCRSQXTI-UHFFFAOYSA-N
XLogP-0.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873492
2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214
2-[4-(2-bromobutanoyl)-1,4-diazepan-1-yl]acetamide
CID 62855599
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497872
2-[4-(3-chloro-2-methylpropanoyl)-1,4-diazepan-1-yl]acetamide
CID 55111046
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
2-(azetidin-1-yl)acetamide
CID 18923030
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
CID 54873478
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide (CID 54873506) is 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide is CCC(C)NCC(=O)N1CCCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is XOAPTPVCRSQXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-11(2)15-9-13(19)17-6-4-5-16(7-8-17)10-12(14)18/h11,15H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 270.38 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54873506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).