N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide

C10H22N4O3 — CID 146319756

IUPACN-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCNCC(=O)NCN
InChIInChI=1S/C10H22N4O3/c1-2-9(15)13-4-6-17-5-3-12-7-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16)
InChIKeyUZYIFCJJGCMPCK-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.85
Rot. Bonds10

About N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide

N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide (PubChem CID 146319756) has the molecular formula C10H22N4O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide
PubChem CID146319756
Molecular FormulaC10H22N4O3
Molecular Weight246.31 g/mol
Exact Mass246.17
IUPAC NameN-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCNCC(=O)NCN
InChIInChI=1S/C10H22N4O3/c1-2-9(15)13-4-6-17-5-3-12-7-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16)
InChIKeyUZYIFCJJGCMPCK-UHFFFAOYSA-N
XLogP-1.85
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
N-ethyl-2-(2-propoxyethylamino)acetamide
CID 106451657
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
2-amino-N-[2-(2-ethoxyethylamino)-2-oxoethyl]acetamide
CID 60846761
N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide (CID 146319756) is N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide is CCC(=O)NCCOCCNCC(=O)NCN.
What is the InChIKey of N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide?
The InChIKey is UZYIFCJJGCMPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3/c1-2-9(15)13-4-6-17-5-3-12-7-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide?
N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of -1.85, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide is sourced from PubChem (CID 146319756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).