N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide

C13H26N4O2 — CID 62839250

IUPACN-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-11(2)13(19)16-6-5-15-12(18)10-17-8-3-4-14-7-9-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyONSXHCSHOOZAHV-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.83
Rot. Bonds6

About N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 62839250) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID62839250
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H26N4O2/c1-11(2)13(19)16-6-5-15-12(18)10-17-8-3-4-14-7-9-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyONSXHCSHOOZAHV-UHFFFAOYSA-N
XLogP-0.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106247485
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide (CID 62839250) is N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CN1CCCNCC1.
What is the InChIKey of N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is ONSXHCSHOOZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11(2)13(19)16-6-5-15-12(18)10-17-8-3-4-14-7-9-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 270.38 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 62839250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).