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

C14H29N3O2 — CID 140937049

IUPACN-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide
SMILESCOCCN1CCCN(CCNC(=O)C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeySLWLGDSQSJGUSW-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.41
Rot. Bonds7

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

N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide (PubChem CID 140937049) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide
PubChem CID140937049
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide
SMILESCOCCN1CCCN(CCNC(=O)C(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeySLWLGDSQSJGUSW-UHFFFAOYSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-Diazepan-1-yl)-2-methylpropan-1-one
CID 16773383
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 2053583
1-[4-(2-Methoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 53518639
4-(2,2-dimethylpropanoyl)-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53604536
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
(4-Methylpiperazin-1-yl)(1,4-oxazepan-6-yl)methanone
CID 66510056
1-acetyl-N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 73439623
6-(Methylamino)-4-(2-methylpropyl)-1,4-oxazepan-5-one
CID 22985049
1-(Methoxyacetyl)-1,4-diazepane hydrochloride
CID 44118454
4-(2-Methoxyethyl)-1,4-diazepan-5-one
CID 53409879
1-[6-(Methylaminomethyl)-4-propanoyl-1,4-diazepan-1-yl]propan-1-one
CID 59110263

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide (CID 140937049) is N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide is COCCN1CCCN(CCNC(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is SLWLGDSQSJGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide?
N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 140937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).