N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide

C14H18N2O4 — CID 107845947

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC(CO)(CO)CO)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-16-6-11(10-4-2-3-5-12(10)16)13(20)15-14(7-17,8-18)9-19/h2-6,17-19H,7-9H2,1H3,(H,15,20)
InChIKeyRXPZMOPDNKRTBZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.38
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide (PubChem CID 107845947) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
PubChem CID107845947
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC(CO)(CO)CO)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-16-6-11(10-4-2-3-5-12(10)16)13(20)15-14(7-17,8-18)9-19/h2-6,17-19H,7-9H2,1H3,(H,15,20)
InChIKeyRXPZMOPDNKRTBZ-UHFFFAOYSA-N
XLogP-0.38
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
1-methylindole-3-carbothioic S-acid
CID 116918837
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide (CID 107845947) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NC(CO)(CO)CO)c2ccccc21.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide?
The InChIKey is RXPZMOPDNKRTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16-6-11(10-4-2-3-5-12(10)16)13(20)15-14(7-17,8-18)9-19/h2-6,17-19H,7-9H2,1H3,(H,15,20).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 107845947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).