ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium

C22H30N3O3+ — CID 8710968

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-23-20(26)15-25(5-2)16-21(27)24-22(17-9-7-6-8-10-17)18-11-13-19(28-3)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t22-/m1/s1
InChIKeySCABAVMGMQCKLF-JOCHJYFZSA-O
MW384.50 g/mol
LogP0.94
Rot. Bonds10

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium (PubChem CID 8710968) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
PubChem CID8710968
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O3/c1-4-23-20(26)15-25(5-2)16-21(27)24-22(17-9-7-6-8-10-17)18-11-13-19(28-3)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t22-/m1/s1
InChIKeySCABAVMGMQCKLF-JOCHJYFZSA-O
XLogP0.94
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
CID 2900428
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium (CID 8710968) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium?
The InChIKey is SCABAVMGMQCKLF-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-4-23-20(26)15-25(5-2)16-21(27)24-22(17-9-7-6-8-10-17)18-11-13-19(28-3)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27)/p+1/t22-/m1/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 0.94, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8710968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).