N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide

C14H25N3O4 — CID 178008548

IUPACN-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
SMILESCCNC(=O)CCNC(=O)CCNC(=O)CCC(=O)CC
InChIInChI=1S/C14H25N3O4/c1-3-11(18)5-6-12(19)16-10-8-14(21)17-9-7-13(20)15-4-2/h3-10H2,1-2H3,(H,15,20)(H,16,19)(H,17,21)
InChIKeyXTMFYKGQPNDZAS-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.11
Rot. Bonds11

About N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide

N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide (PubChem CID 178008548) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide.

Molecular Properties

Compound NameN-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
PubChem CID178008548
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide
SMILESCCNC(=O)CCNC(=O)CCNC(=O)CCC(=O)CC
InChIInChI=1S/C14H25N3O4/c1-3-11(18)5-6-12(19)16-10-8-14(21)17-9-7-13(20)15-4-2/h3-10H2,1-2H3,(H,15,20)(H,16,19)(H,17,21)
InChIKeyXTMFYKGQPNDZAS-UHFFFAOYSA-N
XLogP-0.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexadecyl-4-oxohexanamide
CID 59141452
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
8-oxo-N-propyldecanamide
CID 156819961
N-[3-(ethylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 87413297
N-ethyl-3-[[ethyl(methyl)carbamoyl]amino]propanamide
CID 116657785
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
N,N'-diethylnonanediamide
CID 89048639

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide?
The IUPAC name of N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide (CID 178008548) is N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide.
What is the SMILES notation for N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide?
The canonical SMILES for N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide is CCNC(=O)CCNC(=O)CCNC(=O)CCC(=O)CC.
What is the InChIKey of N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide?
The InChIKey is XTMFYKGQPNDZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-11(18)5-6-12(19)16-10-8-14(21)17-9-7-13(20)15-4-2/h3-10H2,1-2H3,(H,15,20)(H,16,19)(H,17,21).
What are the key properties of N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide?
N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide has a molecular weight of 299.37 g/mol, XLogP of -0.11, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(ethylamino)-3-oxopropyl]amino]-3-oxopropyl]-4-oxohexanamide is sourced from PubChem (CID 178008548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).