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

C14H29N3O2 — CID 63309985

IUPACN-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCCN(CCO)CC1
InChIInChI=1S/C14H29N3O2/c1-4-12(2)15-14(19)13(3)17-7-5-6-16(8-9-17)10-11-18/h12-13,18H,4-11H2,1-3H3,(H,15,19)
InChIKeyQEUJWVBALZRTNP-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.29
Rot. Bonds6

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

N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide (PubChem CID 63309985) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
PubChem CID63309985
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCCN(CCO)CC1
InChIInChI=1S/C14H29N3O2/c1-4-12(2)15-14(19)13(3)17-7-5-6-16(8-9-17)10-11-18/h12-13,18H,4-11H2,1-3H3,(H,15,19)
InChIKeyQEUJWVBALZRTNP-UHFFFAOYSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63310068
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperazin-1-ylpropan-1-one
CID 107223182
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-butylpropanamide
CID 43252705
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(ethylcarbamoyl)propanamide
CID 43252708

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide (CID 63309985) is N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide is CCC(C)NC(=O)C(C)N1CCCN(CCO)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
The InChIKey is QEUJWVBALZRTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-12(2)15-14(19)13(3)17-7-5-6-16(8-9-17)10-11-18/h12-13,18H,4-11H2,1-3H3,(H,15,19).
What are the key properties of N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide?
N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 63309985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).