N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide

C23H37N3O5 — CID 58635218

IUPACN-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCCOC(OCC)[C@H](CC)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H37N3O5/c1-8-17(22(30-9-2)31-10-3)25-19(27)15(4)24-20(28)21(29)26-18-14-12-11-13-16(18)23(5,6)7/h11-15,17,22H,8-10H2,1-7H3,(H,24,28)(H,25,27)(H,26,29)/t15-,17-/m0/s1
InChIKeyMTQZXXVRXMAZLH-RDJZCZTQSA-N
MW435.57 g/mol
LogP2.72
Rot. Bonds10

About N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide

N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide (PubChem CID 58635218) has the molecular formula C23H37N3O5 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
PubChem CID58635218
Molecular FormulaC23H37N3O5
Molecular Weight435.57 g/mol
Exact Mass435.27
IUPAC NameN-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
SMILESCCOC(OCC)[C@H](CC)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H37N3O5/c1-8-17(22(30-9-2)31-10-3)25-19(27)15(4)24-20(28)21(29)26-18-14-12-11-13-16(18)23(5,6)7/h11-15,17,22H,8-10H2,1-7H3,(H,24,28)(H,25,27)(H,26,29)/t15-,17-/m0/s1
InChIKeyMTQZXXVRXMAZLH-RDJZCZTQSA-N
XLogP2.72
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide (CID 58635218) is N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide is CCOC(OCC)[C@H](CC)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
The InChIKey is MTQZXXVRXMAZLH-RDJZCZTQSA-N. The full InChI is InChI=1S/C23H37N3O5/c1-8-17(22(30-9-2)31-10-3)25-19(27)15(4)24-20(28)21(29)26-18-14-12-11-13-16(18)23(5,6)7/h11-15,17,22H,8-10H2,1-7H3,(H,24,28)(H,25,27)(H,26,29)/t15-,17-/m0/s1.
What are the key properties of N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide?
N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide has a molecular weight of 435.57 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide is sourced from PubChem (CID 58635218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).