N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide

C21H34N2O4 — CID 93110010

IUPACN-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CCCC)CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C21H34N2O4/c1-3-5-11-20(24)22(12-6-4-2)17-21(25)23(15-18-9-7-13-26-18)16-19-10-8-14-27-19/h7,9,13,19H,3-6,8,10-12,14-17H2,1-2H3/t19-/m0/s1
InChIKeyBLBQXEYDACZYRF-IBGZPJMESA-N
MW378.51 g/mol
LogP3.61
Rot. Bonds12

About N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide

N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide (PubChem CID 93110010) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
PubChem CID93110010
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC NameN-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CCCC)CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C21H34N2O4/c1-3-5-11-20(24)22(12-6-4-2)17-21(25)23(15-18-9-7-13-26-18)16-19-10-8-14-27-19/h7,9,13,19H,3-6,8,10-12,14-17H2,1-2H3/t19-/m0/s1
InChIKeyBLBQXEYDACZYRF-IBGZPJMESA-N
XLogP3.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 42773375
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
CID 7237047
N-butyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 93110023
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)tetradecanamide
CID 42773426
cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
CID 11891811

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide?
The IUPAC name of N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide (CID 93110010) is N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide is CCCCC(=O)N(CCCC)CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide?
The InChIKey is BLBQXEYDACZYRF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H34N2O4/c1-3-5-11-20(24)22(12-6-4-2)17-21(25)23(15-18-9-7-13-26-18)16-19-10-8-14-27-19/h7,9,13,19H,3-6,8,10-12,14-17H2,1-2H3/t19-/m0/s1.
What are the key properties of N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide?
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide has a molecular weight of 378.51 g/mol, XLogP of 3.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 93110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).