N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide

C9H18N2O3 — CID 10608178

IUPACN-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide
SMILESCC(C)CN(C=O)CC(O)CNC=O
InChIInChI=1S/C9H18N2O3/c1-8(2)4-11(7-13)5-9(14)3-10-6-12/h6-9,14H,3-5H2,1-2H3,(H,10,12)
InChIKeyQVCFEGVQUQEIGC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.79
Rot. Bonds8

About N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide

N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide (PubChem CID 10608178) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide.

Molecular Properties

Compound NameN-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide
PubChem CID10608178
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide
SMILESCC(C)CN(C=O)CC(O)CNC=O
InChIInChI=1S/C9H18N2O3/c1-8(2)4-11(7-13)5-9(14)3-10-6-12/h6-9,14H,3-5H2,1-2H3,(H,10,12)
InChIKeyQVCFEGVQUQEIGC-UHFFFAOYSA-N
XLogP-0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide?
The IUPAC name of N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide (CID 10608178) is N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide.
What is the SMILES notation for N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide?
The canonical SMILES for N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide is CC(C)CN(C=O)CC(O)CNC=O.
What is the InChIKey of N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide?
The InChIKey is QVCFEGVQUQEIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2)4-11(7-13)5-9(14)3-10-6-12/h6-9,14H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide?
N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide has a molecular weight of 202.25 g/mol, XLogP of -0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[formyl(2-methylpropyl)amino]-2-hydroxypropyl]formamide is sourced from PubChem (CID 10608178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).