(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide

C17H20N4O4 — CID 94441497

IUPAC(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H20N4O4/c1-12(20-17(24)21-13-6-3-2-4-7-13)16(23)19-11-15(22)18-10-14-8-5-9-25-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,23)(H2,20,21,24)/t12-/m0/s1
InChIKeyLQEAXKUFSVMBBS-LBPRGKRZSA-N
MW344.37 g/mol
LogP1.22
Rot. Bonds7

About (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide

(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 94441497) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID94441497
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C17H20N4O4/c1-12(20-17(24)21-13-6-3-2-4-7-13)16(23)19-11-15(22)18-10-14-8-5-9-25-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,23)(H2,20,21,24)/t12-/m0/s1
InChIKeyLQEAXKUFSVMBBS-LBPRGKRZSA-N
XLogP1.22
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617199
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
CID 55560299
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-[[2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]propanoyl]amino]acetyl]amino]acetic acid
CID 126563216

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide (CID 94441497) is (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide is C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is LQEAXKUFSVMBBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12(20-17(24)21-13-6-3-2-4-7-13)16(23)19-11-15(22)18-10-14-8-5-9-25-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,23)(H2,20,21,24)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide?
(2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 344.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 94441497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).