N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide

C15H28N4O5 — CID 171804428

IUPACN-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide
SMILESCCC(=O)CCOCCC(=O)NCC(=O)NCCCCNC(N)=O
InChIInChI=1S/C15H28N4O5/c1-2-12(20)5-9-24-10-6-13(21)19-11-14(22)17-7-3-4-8-18-15(16)23/h2-11H2,1H3,(H,17,22)(H,19,21)(H3,16,18,23)
InChIKeyDQVIWLUAVUOFQH-UHFFFAOYSA-N
MW344.41 g/mol
LogP-0.56
Rot. Bonds14

About N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide

N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide (PubChem CID 171804428) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide.

Molecular Properties

Compound NameN-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide
PubChem CID171804428
Molecular FormulaC15H28N4O5
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC NameN-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide
SMILESCCC(=O)CCOCCC(=O)NCC(=O)NCCCCNC(N)=O
InChIInChI=1S/C15H28N4O5/c1-2-12(20)5-9-24-10-6-13(21)19-11-14(22)17-7-3-4-8-18-15(16)23/h2-11H2,1H3,(H,17,22)(H,19,21)(H3,16,18,23)
InChIKeyDQVIWLUAVUOFQH-UHFFFAOYSA-N
XLogP-0.56
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-2-[4-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]butanoylamino]-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]hexanamide
CID 175632355
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710
3-oxopentylurea
CID 19425945
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
3-butoxypropylurea
CID 115575573
3-[[2-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoylamino]acetyl]amino]propanoic acid
CID 175998260
N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 169185271
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide?
The IUPAC name of N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide (CID 171804428) is N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide.
What is the SMILES notation for N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide?
The canonical SMILES for N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide is CCC(=O)CCOCCC(=O)NCC(=O)NCCCCNC(N)=O.
What is the InChIKey of N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide?
The InChIKey is DQVIWLUAVUOFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-2-12(20)5-9-24-10-6-13(21)19-11-14(22)17-7-3-4-8-18-15(16)23/h2-11H2,1H3,(H,17,22)(H,19,21)(H3,16,18,23).
What are the key properties of N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide?
N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide has a molecular weight of 344.41 g/mol, XLogP of -0.56, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(carbamoylamino)butylamino]-2-oxoethyl]-3-(3-oxopentoxy)propanamide is sourced from PubChem (CID 171804428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).