N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide

C32H63N3O4 — CID 90984118

IUPACN,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide
SMILESCCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C(C)C
InChIInChI=1S/C32H63N3O4/c1-13-17-34(16-4)29(37)21-35(20-28(36)33(14-2)15-3)30(38)22-39-24-32(18-25(5)6,19-26(7)8)23-31(11,12)27(9)10/h25-27H,13-24H2,1-12H3
InChIKeyGDHGDSGZJCPHAD-UHFFFAOYSA-N
MW553.87 g/mol
LogP6.11
Rot. Bonds20

About N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide

N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide (PubChem CID 90984118) has the molecular formula C32H63N3O4 and a molecular weight of 553.87 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide
PubChem CID90984118
Molecular FormulaC32H63N3O4
Molecular Weight553.87 g/mol
Exact Mass553.48
IUPAC NameN,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide
SMILESCCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C(C)C
InChIInChI=1S/C32H63N3O4/c1-13-17-34(16-4)29(37)21-35(20-28(36)33(14-2)15-3)30(38)22-39-24-32(18-25(5)6,19-26(7)8)23-31(11,12)27(9)10/h25-27H,13-24H2,1-12H3
InChIKeyGDHGDSGZJCPHAD-UHFFFAOYSA-N
XLogP6.11
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.87
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide (CID 90984118) is N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide is CCCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(CC(C)C)(CC(C)C)CC(C)(C)C(C)C.
What is the InChIKey of N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide?
The InChIKey is GDHGDSGZJCPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H63N3O4/c1-13-17-34(16-4)29(37)21-35(20-28(36)33(14-2)15-3)30(38)22-39-24-32(18-25(5)6,19-26(7)8)23-31(11,12)27(9)10/h25-27H,13-24H2,1-12H3.
What are the key properties of N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide?
N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide has a molecular weight of 553.87 g/mol, XLogP of 6.11, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-[ethyl(propyl)amino]-2-oxoethyl]-[2-[4,4,5-trimethyl-2,2-bis(2-methylpropyl)hexoxy]acetyl]amino]acetamide is sourced from PubChem (CID 90984118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).