N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide

C19H21N3O4 — CID 42537191

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)NCc1ccco1)n2C
InChIInChI=1S/C19H21N3O4/c1-12(18(23)20-11-15-5-4-8-26-15)21-19(24)17-10-13-9-14(25-3)6-7-16(13)22(17)2/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyMBTKSZOSAYHIPJ-LBPRGKRZSA-N
MW355.39 g/mol
LogP2.21
Rot. Bonds6

About N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 42537191) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
PubChem CID42537191
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)NCc1ccco1)n2C
InChIInChI=1S/C19H21N3O4/c1-12(18(23)20-11-15-5-4-8-26-15)21-19(24)17-10-13-9-14(25-3)6-7-16(13)22(17)2/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyMBTKSZOSAYHIPJ-LBPRGKRZSA-N
XLogP2.21
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]acetic acid
CID 4967330
4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
CID 56548373

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide (CID 42537191) is N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)NCc1ccco1)n2C.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is MBTKSZOSAYHIPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(18(23)20-11-15-5-4-8-26-15)21-19(24)17-10-13-9-14(25-3)6-7-16(13)22(17)2/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide?
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 42537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).