N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide

C14H29N3O8 — CID 58472367

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C14H29N3O8/c18-5-13(6-19,7-20)16-11(24)1-3-15-4-2-12(25)17-14(8-21,9-22)10-23/h15,18-23H,1-10H2,(H,16,24)(H,17,25)
InChIKeyJPVPYUINVOBISD-UHFFFAOYSA-N
MW367.40 g/mol
LogP-4.98
Rot. Bonds14

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide (PubChem CID 58472367) has the molecular formula C14H29N3O8 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide
PubChem CID58472367
Molecular FormulaC14H29N3O8
Molecular Weight367.40 g/mol
Exact Mass367.20
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide
SMILESO=C(CCNCCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C14H29N3O8/c18-5-13(6-19,7-20)16-11(24)1-3-15-4-2-12(25)17-14(8-21,9-22)10-23/h15,18-23H,1-10H2,(H,16,24)(H,17,25)
InChIKeyJPVPYUINVOBISD-UHFFFAOYSA-N
XLogP-4.98
TPSA191.61 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 5-4.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide (CID 58472367) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide is O=C(CCNCCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide?
The InChIKey is JPVPYUINVOBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O8/c18-5-13(6-19,7-20)16-11(24)1-3-15-4-2-12(25)17-14(8-21,9-22)10-23/h15,18-23H,1-10H2,(H,16,24)(H,17,25).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide has a molecular weight of 367.40 g/mol, XLogP of -4.98, 14 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 58472367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).