N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide

C22H36N2O4 — CID 7237047

IUPACN-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C22H36N2O4/c1-4-5-6-7-12-21(25)24(18(2)3)17-22(26)23(15-19-10-8-13-27-19)16-20-11-9-14-28-20/h8,10,13,18,20H,4-7,9,11-12,14-17H2,1-3H3/t20-/m0/s1
InChIKeyHUAPGVYOYKOPMY-FQEVSTJZSA-N
MW392.54 g/mol
LogP3.99
Rot. Bonds12

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

N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide (PubChem CID 7237047) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
PubChem CID7237047
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC NameN-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C
InChIInChI=1S/C22H36N2O4/c1-4-5-6-7-12-21(25)24(18(2)3)17-22(26)23(15-19-10-8-13-27-19)16-20-11-9-14-28-20/h8,10,13,18,20H,4-7,9,11-12,14-17H2,1-3H3/t20-/m0/s1
InChIKeyHUAPGVYOYKOPMY-FQEVSTJZSA-N
XLogP3.99
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1058395
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylprop-2-enamide
CID 3638962
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
2-[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93110281
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)tetradecanamide
CID 42773426
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 7297141
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide (CID 7237047) is N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C.
What is the InChIKey of N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide?
The InChIKey is HUAPGVYOYKOPMY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-4-5-6-7-12-21(25)24(18(2)3)17-22(26)23(15-19-10-8-13-27-19)16-20-11-9-14-28-20/h8,10,13,18,20H,4-7,9,11-12,14-17H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide?
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide has a molecular weight of 392.54 g/mol, XLogP of 3.99, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 7237047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).