N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide

C13H25N3O2 — CID 63310068

IUPACN-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-11(13(18)14-12-3-4-12)16-6-2-5-15(7-8-16)9-10-17/h11-12,17H,2-10H2,1H3,(H,14,18)
InChIKeyKQGCQRJWCAYYKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.35
Rot. Bonds5

About N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide

N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide (PubChem CID 63310068) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
PubChem CID63310068
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCCN(CCO)CC1
InChIInChI=1S/C13H25N3O2/c1-11(13(18)14-12-3-4-12)16-6-2-5-15(7-8-16)9-10-17/h11-12,17H,2-10H2,1H3,(H,14,18)
InChIKeyKQGCQRJWCAYYKP-UHFFFAOYSA-N
XLogP-0.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-cyclopropylpropanamide
CID 43252701
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63309985
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide (CID 63310068) is N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCCN(CCO)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The InChIKey is KQGCQRJWCAYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(13(18)14-12-3-4-12)16-6-2-5-15(7-8-16)9-10-17/h11-12,17H,2-10H2,1H3,(H,14,18).
What are the key properties of N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 255.36 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 63310068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).